4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide

C32H38N4O4 — CID 123683263

IUPAC4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide
SMILESCC1CC(=O)N(Cc2ccc(C(=O)NC3CCN(C4CCOCC4)CC3)cc2Oc2ccc3ncccc3c2)C1
InChIInChI=1S/C32H38N4O4/c1-22-17-31(37)36(20-22)21-25-5-4-24(19-30(25)40-28-6-7-29-23(18-28)3-2-12-33-29)32(38)34-26-8-13-35(14-9-26)27-10-15-39-16-11-27/h2-7,12,18-19,22,26-27H,8-11,13-17,20-21H2,1H3,(H,34,38)
InChIKeyFTQMPWGPLLGGRK-UHFFFAOYSA-N
MW542.68 g/mol
LogP4.77
Rot. Bonds7

About 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide

4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide (PubChem CID 123683263) has the molecular formula C32H38N4O4 and a molecular weight of 542.68 g/mol. Its IUPAC name is 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide.

Molecular Properties

Compound Name4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide
PubChem CID123683263
Molecular FormulaC32H38N4O4
Molecular Weight542.68 g/mol
Exact Mass542.29
IUPAC Name4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide
SMILESCC1CC(=O)N(Cc2ccc(C(=O)NC3CCN(C4CCOCC4)CC3)cc2Oc2ccc3ncccc3c2)C1
InChIInChI=1S/C32H38N4O4/c1-22-17-31(37)36(20-22)21-25-5-4-24(19-30(25)40-28-6-7-29-23(18-28)3-2-12-33-29)32(38)34-26-8-13-35(14-9-26)27-10-15-39-16-11-27/h2-7,12,18-19,22,26-27H,8-11,13-17,20-21H2,1H3,(H,34,38)
InChIKeyFTQMPWGPLLGGRK-UHFFFAOYSA-N
XLogP4.77
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.68
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-cyclobutyl-1-oxoisoquinolin-6-yl)oxy-2-fluoro-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 118454804
N-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide
CID 118465336
N-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide
CID 118465433
2-fluoro-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-5-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]benzamide
CID 123449946
3-[4-(oxan-4-ylcarbamoyl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide
CID 144948142
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
4-[[3-hydroxy-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]piperidine-1-carboxylic acid
CID 118454610
N-(1-cyclopentylpiperidin-4-yl)-4-[(4-methyl-2-oxoimidazolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide
CID 118454709
2-methylpropanimidoyl 4-[5-[(1-cyclobutylpiperidin-4-yl)carbamoyl]-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzenecarboximidothioate
CID 144948027
3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 126834663
N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide
CID 169421424
3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 123598029

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide?
The IUPAC name of 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide (CID 123683263) is 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide.
What is the SMILES notation for 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide?
The canonical SMILES for 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide is CC1CC(=O)N(Cc2ccc(C(=O)NC3CCN(C4CCOCC4)CC3)cc2Oc2ccc3ncccc3c2)C1.
What is the InChIKey of 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide?
The InChIKey is FTQMPWGPLLGGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O4/c1-22-17-31(37)36(20-22)21-25-5-4-24(19-30(25)40-28-6-7-29-23(18-28)3-2-12-33-29)32(38)34-26-8-13-35(14-9-26)27-10-15-39-16-11-27/h2-7,12,18-19,22,26-27H,8-11,13-17,20-21H2,1H3,(H,34,38).
What are the key properties of 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide?
4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide has a molecular weight of 542.68 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide is sourced from PubChem (CID 123683263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).