[6-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone

C24H24ClN3O — CID 155399509

IUPAC[6-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCCc2cc(C3(c4nc5ccc(Cl)cc5[nH]4)CCC3)ccc21
InChIInChI=1S/C24H24ClN3O/c25-18-7-8-19-20(14-18)27-23(26-19)24(10-2-11-24)17-6-9-21-16(13-17)3-1-12-28(21)22(29)15-4-5-15/h6-9,13-15H,1-5,10-12H2,(H,26,27)
InChIKeyOXQUWTGRWXIRBK-UHFFFAOYSA-N
MW405.93 g/mol
LogP5.38
Rot. Bonds3

About [6-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone

[6-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone (PubChem CID 155399509) has the molecular formula C24H24ClN3O and a molecular weight of 405.93 g/mol. Its IUPAC name is [6-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[6-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
PubChem CID155399509
Molecular FormulaC24H24ClN3O
Molecular Weight405.93 g/mol
Exact Mass405.16
IUPAC Name[6-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCCc2cc(C3(c4nc5ccc(Cl)cc5[nH]4)CCC3)ccc21
InChIInChI=1S/C24H24ClN3O/c25-18-7-8-19-20(14-18)27-23(26-19)24(10-2-11-24)17-6-9-21-16(13-17)3-1-12-28(21)22(29)15-4-5-15/h6-9,13-15H,1-5,10-12H2,(H,26,27)
InChIKeyOXQUWTGRWXIRBK-UHFFFAOYSA-N
XLogP5.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl 6-[1-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 164830709
[6-(2-chloroethyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82260536
N-[5-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-2-pyridinyl]-3-cyanobenzamide
CID 137463954
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 90349853
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]methanone
CID 90350176
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 90350079
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-[(3S)-3,7-dimethylbicyclo[3.3.1]nonane-1-carbonyl]piperidin-4-yl]methanone
CID 144685980
[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259205
[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 38982023
N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853215
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
CID 118602693
2-bromo-1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropan-1-one
CID 82258968

Frequently Asked Questions

What is the IUPAC name of [6-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone?
The IUPAC name of [6-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone (CID 155399509) is [6-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [6-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [6-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCCc2cc(C3(c4nc5ccc(Cl)cc5[nH]4)CCC3)ccc21.
What is the InChIKey of [6-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone?
The InChIKey is OXQUWTGRWXIRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O/c25-18-7-8-19-20(14-18)27-23(26-19)24(10-2-11-24)17-6-9-21-16(13-17)3-1-12-28(21)22(29)15-4-5-15/h6-9,13-15H,1-5,10-12H2,(H,26,27).
What are the key properties of [6-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone?
[6-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone has a molecular weight of 405.93 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(6-chloro-1H-benzimidazol-2-yl)cyclobutyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 155399509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).