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179894-41-8 | Quinoline, 1,2-dihydro-2,2,4-trimethyl-6-(3-pyridinyl)-
CAS No: 179894-41-8 Catalog No: AG0027BT MDL No:
Product Description
Catalog Number:
AG0027BT
Chemical Name:
Quinoline, 1,2-dihydro-2,2,4-trimethyl-6-(3-pyridinyl)-
CAS Number:
179894-41-8
Molecular Formula:
C17H18N2
Molecular Weight:
250.3382
IUPAC Name:
2,2,4-trimethyl-6-pyridin-3-yl-1H-quinoline
InChI:
InChI=1S/C17H18N2/c1-12-10-17(2,3)19-16-7-6-13(9-15(12)16)14-5-4-8-18-11-14/h4-11,19H,1-3H3
InChI Key:
RMSNVIWGYBXMGS-UHFFFAOYSA-N
SMILES:
CC1=CC(C)(C)Nc2c1cc(cc2)c1cccnc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.345g/mol
Monoisotopic Mass:
250.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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