1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one

C24H27ClN6O2 — CID 172732879

IUPAC1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one
SMILESCN(C)CCNc1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c(=O)n(Cl)c2ccccc12
InChIInChI=1S/C24H27ClN6O2/c1-29(2)10-9-26-22-17-5-3-4-6-20(17)31(25)24(32)21(22)23-27-18-8-7-16(15-19(18)28-23)30-11-13-33-14-12-30/h3-8,15,26H,9-14H2,1-2H3,(H,27,28)
InChIKeyIAMVAFDOSIKWAC-UHFFFAOYSA-N
MW466.97 g/mol
LogP3.36
Rot. Bonds6

About 1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one

1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one (PubChem CID 172732879) has the molecular formula C24H27ClN6O2 and a molecular weight of 466.97 g/mol. Its IUPAC name is 1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one.

Molecular Properties

Compound Name1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one
PubChem CID172732879
Molecular FormulaC24H27ClN6O2
Molecular Weight466.97 g/mol
Exact Mass466.19
IUPAC Name1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one
SMILESCN(C)CCNc1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c(=O)n(Cl)c2ccccc12
InChIInChI=1S/C24H27ClN6O2/c1-29(2)10-9-26-22-17-5-3-4-6-20(17)31(25)24(32)21(22)23-27-18-8-7-16(15-19(18)28-23)30-11-13-33-14-12-30/h3-8,15,26H,9-14H2,1-2H3,(H,27,28)
InChIKeyIAMVAFDOSIKWAC-UHFFFAOYSA-N
XLogP3.36
TPSA78.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 154238951
6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one
CID 139985105
6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[3-(2-oxopyrrolidin-1-yl)propylamino]-1H-quinolin-2-one
CID 136599664
4-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(phosphanylmethyl)thieno[2,3-b]pyridin-6-one
CID 154937246
3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one
CID 137394588
2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one
CID 138662183
3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(1-pyrazin-2-ylethylamino)-1H-quinolin-2-one
CID 137393959
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-amine
CID 174489954
1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one
CID 162189422
4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-7-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-quinolin-2-one
CID 68621837
N-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine
CID 141053448
3-(dimethylamino)-1-[2-(2-hydroxy-1H-indol-3-yl)-3H-benzimidazol-5-yl]propan-1-one;3-[6-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-yl]-1H-indol-2-ol
CID 161002322

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one?
The IUPAC name of 1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one (CID 172732879) is 1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one.
What is the SMILES notation for 1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one?
The canonical SMILES for 1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one is CN(C)CCNc1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c(=O)n(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one?
The InChIKey is IAMVAFDOSIKWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O2/c1-29(2)10-9-26-22-17-5-3-4-6-20(17)31(25)24(32)21(22)23-27-18-8-7-16(15-19(18)28-23)30-11-13-33-14-12-30/h3-8,15,26H,9-14H2,1-2H3,(H,27,28).
What are the key properties of 1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one?
1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one has a molecular weight of 466.97 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one is sourced from PubChem (CID 172732879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).