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41455-82-7 | 5-(PYRROLIDIN-1-YLMETHYL)QUINOLIN-8-OL
CAS No: 41455-82-7 Catalog No: AG00D6YO MDL No:MFCD00843668
Product Description
Catalog Number:
AG00D6YO
Chemical Name:
5-(PYRROLIDIN-1-YLMETHYL)QUINOLIN-8-OL
CAS Number:
41455-82-7
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
MDL Number:
MFCD00843668
IUPAC Name:
5-(pyrrolidin-1-ylmethyl)quinolin-8-ol
InChI:
InChI=1S/C14H16N2O/c17-13-6-5-11(10-16-8-1-2-9-16)12-4-3-7-15-14(12)13/h3-7,17H,1-2,8-10H2
InChI Key:
YIDLQDBGBKKOGB-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1nccc2)CN1CCCC1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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