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99878-27-0 | Quinoline, 4-methyl-2-propyl-
CAS No: 99878-27-0 Catalog No: AG004X71 MDL No:
Product Description
Catalog Number:
AG004X71
Chemical Name:
Quinoline, 4-methyl-2-propyl-
CAS Number:
99878-27-0
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
IUPAC Name:
4-methyl-2-propylquinoline
InChI:
InChI=1S/C13H15N/c1-3-6-11-9-10(2)12-7-4-5-8-13(12)14-11/h4-5,7-9H,3,6H2,1-2H3
InChI Key:
PBILQHLRWUAGRT-UHFFFAOYSA-N
SMILES:
CCCc1cc(C)c2c(n1)cccc2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Substituted 4-methylquinolines as a new class of anti-tuberculosis agents. | Bioorganic & medicinal chemistry letters 20030324 |
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