N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide

C21H19N3O2 — CID 110331601

IUPACN-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1cc(C)c2[nH]c(=O)c(CCC(=O)Nc3cccc(C#N)c3)cc2c1
InChIInChI=1S/C21H19N3O2/c1-13-8-14(2)20-17(9-13)11-16(21(26)24-20)6-7-19(25)23-18-5-3-4-15(10-18)12-22/h3-5,8-11H,6-7H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGUCGTRMXKVMRMD-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.59
Rot. Bonds4

About N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide

N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110331601) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110331601
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1cc(C)c2[nH]c(=O)c(CCC(=O)Nc3cccc(C#N)c3)cc2c1
InChIInChI=1S/C21H19N3O2/c1-13-8-14(2)20-17(9-13)11-16(21(26)24-20)6-7-19(25)23-18-5-3-4-15(10-18)12-22/h3-5,8-11H,6-7H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGUCGTRMXKVMRMD-UHFFFAOYSA-N
XLogP3.59
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331282
N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110299012
N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390170
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide
CID 110331249
N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331576
1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
CID 110326282
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 110331556
N-(3-fluorophenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331277
N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331152
N-cyclopentyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331527
N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035241
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331560

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 110331601) is N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide is Cc1cc(C)c2[nH]c(=O)c(CCC(=O)Nc3cccc(C#N)c3)cc2c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is GUCGTRMXKVMRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-13-8-14(2)20-17(9-13)11-16(21(26)24-20)6-7-19(25)23-18-5-3-4-15(10-18)12-22/h3-5,8-11H,6-7H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide?
N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 345.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110331601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).