(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide

C22H21N3O3 — CID 9107582

IUPAC(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1C[C@@H](C(=O)Nc2cccc3cccnc23)CC1=O
InChIInChI=1S/C22H21N3O3/c1-14-8-9-19(28-2)18(11-14)25-13-16(12-20(25)26)22(27)24-17-7-3-5-15-6-4-10-23-21(15)17/h3-11,16H,12-13H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyIBJJDCMCPSFCQN-INIZCTEOSA-N
MW375.43 g/mol
LogP3.54
Rot. Bonds4

About (3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide

(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide (PubChem CID 9107582) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
PubChem CID9107582
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1C[C@@H](C(=O)Nc2cccc3cccnc23)CC1=O
InChIInChI=1S/C22H21N3O3/c1-14-8-9-19(28-2)18(11-14)25-13-16(12-20(25)26)22(27)24-17-7-3-5-15-6-4-10-23-21(15)17/h3-11,16H,12-13H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyIBJJDCMCPSFCQN-INIZCTEOSA-N
XLogP3.54
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 40991014
N-(3,5-dimethylphenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190568
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885963
N-(2,6-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188236
1-(2-methoxy-5-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 17019101
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586094
(3S)-1-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92626405
5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190599
1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 46581777
1-(2-methoxy-5-methylphenyl)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55513636

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide (CID 9107582) is (3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide is COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2cccc3cccnc23)CC1=O.
What is the InChIKey of (3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The InChIKey is IBJJDCMCPSFCQN-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-8-9-19(28-2)18(11-14)25-13-16(12-20(25)26)22(27)24-17-7-3-5-15-6-4-10-23-21(15)17/h3-11,16H,12-13H2,1-2H3,(H,24,27)/t16-/m0/s1.
What are the key properties of (3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide?
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 9107582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).