1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one

C29H28N2O4 — CID 139956885

IUPAC1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one
SMILESCOc1ccc2c(-c3ccccc3)cc(=O)n(Cc3ccc(C(=O)N4CCC[C@H]4CO)cc3)c2c1
InChIInChI=1S/C29H28N2O4/c1-35-24-13-14-25-26(21-6-3-2-4-7-21)17-28(33)31(27(25)16-24)18-20-9-11-22(12-10-20)29(34)30-15-5-8-23(30)19-32/h2-4,6-7,9-14,16-17,23,32H,5,8,15,18-19H2,1H3/t23-/m0/s1
InChIKeyMFJYFNLQWSYIKF-QHCPKHFHSA-N
MW468.55 g/mol
LogP4.32
Rot. Bonds6

About 1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one

1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one (PubChem CID 139956885) has the molecular formula C29H28N2O4 and a molecular weight of 468.55 g/mol. Its IUPAC name is 1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one.

Molecular Properties

Compound Name1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one
PubChem CID139956885
Molecular FormulaC29H28N2O4
Molecular Weight468.55 g/mol
Exact Mass468.20
IUPAC Name1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one
SMILESCOc1ccc2c(-c3ccccc3)cc(=O)n(Cc3ccc(C(=O)N4CCC[C@H]4CO)cc3)c2c1
InChIInChI=1S/C29H28N2O4/c1-35-24-13-14-25-26(21-6-3-2-4-7-21)17-28(33)31(27(25)16-24)18-20-9-11-22(12-10-20)29(34)30-15-5-8-23(30)19-32/h2-4,6-7,9-14,16-17,23,32H,5,8,15,18-19H2,1H3/t23-/m0/s1
InChIKeyMFJYFNLQWSYIKF-QHCPKHFHSA-N
XLogP4.32
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one with MolForge

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Related Compounds

7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one
CID 139956939
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
(3,5-dichloro-4-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030156
[2-(bromomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 74554954
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
(4-amino-3-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210005
(2-amino-5-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55138072
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115413023
[2-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methanone
CID 119064462
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 79029045
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
(4-hydroxy-3-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110473392

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one?
The IUPAC name of 1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one (CID 139956885) is 1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one.
What is the SMILES notation for 1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one?
The canonical SMILES for 1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one is COc1ccc2c(-c3ccccc3)cc(=O)n(Cc3ccc(C(=O)N4CCC[C@H]4CO)cc3)c2c1.
What is the InChIKey of 1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one?
The InChIKey is MFJYFNLQWSYIKF-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H28N2O4/c1-35-24-13-14-25-26(21-6-3-2-4-7-21)17-28(33)31(27(25)16-24)18-20-9-11-22(12-10-20)29(34)30-15-5-8-23(30)19-32/h2-4,6-7,9-14,16-17,23,32H,5,8,15,18-19H2,1H3/t23-/m0/s1.
What are the key properties of 1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one?
1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one has a molecular weight of 468.55 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-7-methoxy-4-phenylquinolin-2-one is sourced from PubChem (CID 139956885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).