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

C22H21N3O3 — CID 3169304

IUPAC2-cyano-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C#N)Cc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C22H21N3O3/c1-13-8-14(2)20-15(9-13)10-16(21(26)25-20)11-17(12-23)22(27)24-18-6-4-5-7-19(18)28-3/h4-10,17H,11H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyYFKFDNPLSDUNJK-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.47
Rot. Bonds5

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

2-cyano-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide (PubChem CID 3169304) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-cyano-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-cyano-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide
PubChem CID3169304
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-cyano-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C#N)Cc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C22H21N3O3/c1-13-8-14(2)20-15(9-13)10-16(21(26)25-20)11-17(12-23)22(27)24-18-6-4-5-7-19(18)28-3/h4-10,17H,11H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyYFKFDNPLSDUNJK-UHFFFAOYSA-N
XLogP3.47
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 1140234
3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 864735
(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide
CID 763342
2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 3169981
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-methoxyphenyl)urea
CID 652717
(2R)-2-cyano-N-(2,6-dimethylphenyl)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 1140253
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 69445167
3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 862232
N-(3-cyanophenyl)-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331601
3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea
CID 3194385
(2R)-2-cyano-N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 5413283
N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331087

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-cyano-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide (CID 3169304) is 2-cyano-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-cyano-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-cyano-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C#N)Cc1cc2cc(C)cc(C)c2[nH]c1=O.
What is the InChIKey of 2-cyano-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is YFKFDNPLSDUNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13-8-14(2)20-15(9-13)10-16(21(26)25-20)11-17(12-23)22(27)24-18-6-4-5-7-19(18)28-3/h4-10,17H,11H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 2-cyano-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide?
2-cyano-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 375.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 3169304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).