(2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide

C22H21N3O3 — CID 1140234

IUPAC(2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C#N)Cc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C22H21N3O3/c1-13-8-15-10-16(21(26)25-19(15)9-14(13)2)11-17(12-23)22(27)24-18-6-4-5-7-20(18)28-3/h4-10,17H,11H2,1-3H3,(H,24,27)(H,25,26)/t17-/m1/s1
InChIKeyLKDPIFMYMTVSIN-QGZVFWFLSA-N
MW375.43 g/mol
LogP3.47
Rot. Bonds5

About (2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide

(2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide (PubChem CID 1140234) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide
PubChem CID1140234
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C#N)Cc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C22H21N3O3/c1-13-8-15-10-16(21(26)25-19(15)9-14(13)2)11-17(12-23)22(27)24-18-6-4-5-7-20(18)28-3/h4-10,17H,11H2,1-3H3,(H,24,27)(H,25,26)/t17-/m1/s1
InChIKeyLKDPIFMYMTVSIN-QGZVFWFLSA-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

Analyze (2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide with MolForge

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Related Compounds

2-cyano-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 3169304
(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide
CID 763342
(2R)-2-cyano-N-(2,6-dimethylphenyl)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 1140253
(2S)-2-cyano-N-(2,6-dimethylphenyl)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 1140255
2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 3169981
6-amino-5-cyano-4-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxamide
CID 23857742
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-[2-(2-methylphenyl)ethyl]thiourea
CID 3177212
(2R)-2-cyano-N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 5413283
(2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
CID 7303724
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)urea
CID 3194838
1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-[2-(2-methylphenyl)ethyl]urea
CID 3194738
1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449303

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide (CID 1140234) is (2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)[C@@H](C#N)Cc1cc2cc(C)c(C)cc2[nH]c1=O.
What is the InChIKey of (2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is LKDPIFMYMTVSIN-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13-8-15-10-16(21(26)25-19(15)9-14(13)2)11-17(12-23)22(27)24-18-6-4-5-7-20(18)28-3/h4-10,17H,11H2,1-3H3,(H,24,27)(H,25,26)/t17-/m1/s1.
What are the key properties of (2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide?
(2R)-2-cyano-3-(6,7-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 (2R)-2-cyano-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 1140234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).