(3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one

C25H28N2O4 — CID 25477633

IUPAC(3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)CC[C@H]3Cc4ccccc4NC3=O)CC2)cc1
InChIInChI=1S/C25H28N2O4/c1-31-21-9-6-17(7-10-21)24(29)18-12-14-27(15-13-18)23(28)11-8-20-16-19-4-2-3-5-22(19)26-25(20)30/h2-7,9-10,18,20H,8,11-16H2,1H3,(H,26,30)/t20-/m0/s1
InChIKeyQOPMZACHTCADFN-FQEVSTJZSA-N
MW420.51 g/mol
LogP3.71
Rot. Bonds6

About (3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one

(3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 25477633) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is (3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID25477633
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name(3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)CC[C@H]3Cc4ccccc4NC3=O)CC2)cc1
InChIInChI=1S/C25H28N2O4/c1-31-21-9-6-17(7-10-21)24(29)18-12-14-27(15-13-18)23(28)11-8-20-16-19-4-2-3-5-22(19)26-25(20)30/h2-7,9-10,18,20H,8,11-16H2,1H3,(H,26,30)/t20-/m0/s1
InChIKeyQOPMZACHTCADFN-FQEVSTJZSA-N
XLogP3.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119577735
3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 24609034
(4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
CID 16615487
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 25473025
3-(4-ethylphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25474786
3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one
CID 25473352
3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 43044253
(3S)-3-[3-oxo-3-[(2S)-2-[(1S)-2-oxocyclohexyl]azepan-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
CID 124732266
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-5-(2H-triazol-4-yl)pentan-1-one
CID 75455687
(3S)-3-[3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 100903723
N-(3-methoxyphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 51537746

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (CID 25477633) is (3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is COc1ccc(C(=O)C2CCN(C(=O)CC[C@H]3Cc4ccccc4NC3=O)CC2)cc1.
What is the InChIKey of (3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QOPMZACHTCADFN-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-31-21-9-6-17(7-10-21)24(29)18-12-14-27(15-13-18)23(28)11-8-20-16-19-4-2-3-5-22(19)26-25(20)30/h2-7,9-10,18,20H,8,11-16H2,1H3,(H,26,30)/t20-/m0/s1.
What are the key properties of (3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
(3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 420.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 25477633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).