6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one

C26H30N4O3 — CID 154863674

IUPAC6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)CCC(=O)N3CCCC(Cn4cnc5ccccc54)C3)ccc2N1
InChIInChI=1S/C26H30N4O3/c31-24(20-7-9-21-19(14-20)8-11-25(32)28-21)10-12-26(33)29-13-3-4-18(15-29)16-30-17-27-22-5-1-2-6-23(22)30/h1-2,5-7,9,14,17-18,24,31H,3-4,8,10-13,15-16H2,(H,28,32)
InChIKeyRKGIJRBGRNYDKG-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.67
Rot. Bonds6

About 6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one

6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 154863674) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID154863674
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)CCC(=O)N3CCCC(Cn4cnc5ccccc54)C3)ccc2N1
InChIInChI=1S/C26H30N4O3/c31-24(20-7-9-21-19(14-20)8-11-25(32)28-21)10-12-26(33)29-13-3-4-18(15-29)16-30-17-27-22-5-1-2-6-23(22)30/h1-2,5-7,9,14,17-18,24,31H,3-4,8,10-13,15-16H2,(H,28,32)
InChIKeyRKGIJRBGRNYDKG-UHFFFAOYSA-N
XLogP3.67
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one
CID 100604538
6-[(1R)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one
CID 100604548
3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide
CID 126827644
1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone
CID 99797712
7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103165412
7-[2-[(3S)-3-benzylpiperidin-1-yl]-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride
CID 142663341
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119410362
6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115127
6-[4-(3-methylpiperidin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 134005090
2-(benzimidazol-1-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 125008799
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119484326
7-(2-cyclopentyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61083386

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one (CID 154863674) is 6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(O)CCC(=O)N3CCCC(Cn4cnc5ccccc54)C3)ccc2N1.
What is the InChIKey of 6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RKGIJRBGRNYDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c31-24(20-7-9-21-19(14-20)8-11-25(32)28-21)10-12-26(33)29-13-3-4-18(15-29)16-30-17-27-22-5-1-2-6-23(22)30/h1-2,5-7,9,14,17-18,24,31H,3-4,8,10-13,15-16H2,(H,28,32).
What are the key properties of 6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 446.55 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 154863674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).