N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C31H38N4O3 — CID 45240414

IUPACN-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCc1ccc(C(=O)N(CCCN2CCCC2=O)Cc2cc3ccc(C)cc3nc2N2CCCC(O)C2)cc1
InChIInChI=1S/C31H38N4O3/c1-22-8-11-24(12-9-22)31(38)35(17-5-16-33-14-4-7-29(33)37)20-26-19-25-13-10-23(2)18-28(25)32-30(26)34-15-3-6-27(36)21-34/h8-13,18-19,27,36H,3-7,14-17,20-21H2,1-2H3
InChIKeyAOZFZPFDPSOYLY-UHFFFAOYSA-N
MW514.67 g/mol
LogP4.47
Rot. Bonds8

About N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 45240414) has the molecular formula C31H38N4O3 and a molecular weight of 514.67 g/mol. Its IUPAC name is N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound NameN-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID45240414
Molecular FormulaC31H38N4O3
Molecular Weight514.67 g/mol
Exact Mass514.29
IUPAC NameN-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCc1ccc(C(=O)N(CCCN2CCCC2=O)Cc2cc3ccc(C)cc3nc2N2CCCC(O)C2)cc1
InChIInChI=1S/C31H38N4O3/c1-22-8-11-24(12-9-22)31(38)35(17-5-16-33-14-4-7-29(33)37)20-26-19-25-13-10-23(2)18-28(25)32-30(26)34-15-3-6-27(36)21-34/h8-13,18-19,27,36H,3-7,14-17,20-21H2,1-2H3
InChIKeyAOZFZPFDPSOYLY-UHFFFAOYSA-N
XLogP4.47
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.67
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]furan-2-carboxamide
CID 118756720
3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 42406671
N-[[2-(azepan-1-yl)-7-chloroquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]furan-2-carboxamide
CID 26282437
3-methoxy-N-[(6-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 42485035
(3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol
CID 99962325
1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
CID 70718622
(3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
CID 95861414
(3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
CID 95871774
N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 42162632
N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 45181635
1-[6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinolin-2-yl]piperidin-3-ol
CID 70785584
3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide
CID 42499083

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 45240414) is N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is Cc1ccc(C(=O)N(CCCN2CCCC2=O)Cc2cc3ccc(C)cc3nc2N2CCCC(O)C2)cc1.
What is the InChIKey of N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is AOZFZPFDPSOYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O3/c1-22-8-11-24(12-9-22)31(38)35(17-5-16-33-14-4-7-29(33)37)20-26-19-25-13-10-23(2)18-28(25)32-30(26)34-15-3-6-27(36)21-34/h8-13,18-19,27,36H,3-7,14-17,20-21H2,1-2H3.
What are the key properties of N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 514.67 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 45240414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).