4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one

C21H24N6O — CID 136599759

IUPAC4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one
SMILESCN(C)CCN(C)c1cccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N)c12
InChIInChI=1S/C21H24N6O/c1-26(2)11-12-27(3)16-10-6-9-15-17(16)19(22)18(21(28)25-15)20-23-13-7-4-5-8-14(13)24-20/h4-10H,11-12H2,1-3H3,(H,23,24)(H3,22,25,28)
InChIKeyNPFYAQLIAXXSJM-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.65
Rot. Bonds5

About 4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one

4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one (PubChem CID 136599759) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one
PubChem CID136599759
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one
SMILESCN(C)CCN(C)c1cccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N)c12
InChIInChI=1S/C21H24N6O/c1-26(2)11-12-27(3)16-10-6-9-15-17(16)19(22)18(21(28)25-15)20-23-13-7-4-5-8-14(13)24-20/h4-10H,11-12H2,1-3H3,(H,23,24)(H3,22,25,28)
InChIKeyNPFYAQLIAXXSJM-UHFFFAOYSA-N
XLogP2.65
TPSA94.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one
CID 136599885
4-amino-5-fluoro-3-[6-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 136599745
4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135496141
3-[2-(dimethylamino)ethylsulfanylmethyl]-1H-quinoxalin-2-one
CID 134065176
3-(6-acetyl-1H-benzimidazol-2-yl)-4-amino-1H-quinolin-2-one;2-(4-amino-2-oxo-1H-quinolin-3-yl)-N-ethyl-N-methyl-3H-benzimidazole-5-carboxamide
CID 158946826
4-amino-3-[6-[2-[(dimethylamino)methyl]morpholin-4-yl]-1H-benzimidazol-2-yl]-5-fluoro-1H-quinolin-2-one
CID 136599725
4-amino-3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1H-benzimidazol-2-yl]-5-fluoro-1H-quinolin-2-one
CID 136599519
4-amino-3-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-fluoro-1H-quinolin-2-one
CID 143484905
4-amino-3-[6-[(2R,5R)-2-[(dimethylamino)methyl]-5-methylmorpholine-4-carbonyl]-1H-benzimidazol-2-yl]-5-fluoro-1H-quinolin-2-one
CID 136599467
3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one
CID 55103508
4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 172762451
3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one
CID 135464161

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one?
The IUPAC name of 4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one (CID 136599759) is 4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one?
The canonical SMILES for 4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one is CN(C)CCN(C)c1cccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N)c12.
What is the InChIKey of 4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one?
The InChIKey is NPFYAQLIAXXSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26(2)11-12-27(3)16-10-6-9-15-17(16)19(22)18(21(28)25-15)20-23-13-7-4-5-8-14(13)24-20/h4-10H,11-12H2,1-3H3,(H,23,24)(H3,22,25,28).
What are the key properties of 4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one?
4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one has a molecular weight of 376.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one is sourced from PubChem (CID 136599759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).