1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one

C20H18ClN5O2 — CID 162189422

IUPAC1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one
SMILESNn1c(=O)c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cc2cc(Cl)ccc21
InChIInChI=1S/C20H18ClN5O2/c21-13-1-4-18-12(9-13)10-15(20(27)26(18)22)19-23-16-3-2-14(11-17(16)24-19)25-5-7-28-8-6-25/h1-4,9-11H,5-8,22H2,(H,23,24)
InChIKeyZQCFPYQAUBAHPF-UHFFFAOYSA-N
MW395.85 g/mol
LogP2.75
Rot. Bonds2

About 1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one

1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one (PubChem CID 162189422) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one.

Molecular Properties

Compound Name1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one
PubChem CID162189422
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one
SMILESNn1c(=O)c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cc2cc(Cl)ccc21
InChIInChI=1S/C20H18ClN5O2/c21-13-1-4-18-12(9-13)10-15(20(27)26(18)22)19-23-16-3-2-14(11-17(16)24-19)25-5-7-28-8-6-25/h1-4,9-11H,5-8,22H2,(H,23,24)
InChIKeyZQCFPYQAUBAHPF-UHFFFAOYSA-N
XLogP2.75
TPSA89.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2-one
CID 57336746
N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 154238951
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
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)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 141079632
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-amine
CID 174489954
2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol
CID 168554407
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-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
CID 71543431
2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
CID 162530956
4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 117058420
6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[3-(2-oxopyrrolidin-1-yl)propylamino]-1H-quinolin-2-one
CID 136599664

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one?
The IUPAC name of 1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one (CID 162189422) is 1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one.
What is the SMILES notation for 1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one?
The canonical SMILES for 1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one is Nn1c(=O)c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cc2cc(Cl)ccc21.
What is the InChIKey of 1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one?
The InChIKey is ZQCFPYQAUBAHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c21-13-1-4-18-12(9-13)10-15(20(27)26(18)22)19-23-16-3-2-14(11-17(16)24-19)25-5-7-28-8-6-25/h1-4,9-11H,5-8,22H2,(H,23,24).
What are the key properties of 1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one?
1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one has a molecular weight of 395.85 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one is sourced from PubChem (CID 162189422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).