4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one

C18H17N5O — CID 136599885

IUPAC4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one
SMILESCN(C)c1cccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N)c12
InChIInChI=1S/C18H17N5O/c1-23(2)13-9-5-8-12-14(13)16(19)15(18(24)22-12)17-20-10-6-3-4-7-11(10)21-17/h3-9H,1-2H3,(H,20,21)(H3,19,22,24)
InChIKeyLNVQMVFWVGFOIV-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.72
Rot. Bonds2

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

4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one (PubChem CID 136599885) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one
PubChem CID136599885
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one
SMILESCN(C)c1cccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N)c12
InChIInChI=1S/C18H17N5O/c1-23(2)13-9-5-8-12-14(13)16(19)15(18(24)22-12)17-20-10-6-3-4-7-11(10)21-17/h3-9H,1-2H3,(H,20,21)(H3,19,22,24)
InChIKeyLNVQMVFWVGFOIV-UHFFFAOYSA-N
XLogP2.72
TPSA90.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one
CID 136599759
4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135496141
4-amino-5-fluoro-3-[6-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 136599745
4-amino-3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1H-benzimidazol-2-yl]-5-fluoro-1H-quinolin-2-one
CID 136599519
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-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
CID 90927480
3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one
CID 135464161
3-[6-(4-acetylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-amino-5-fluoro-1H-quinolin-2-one
CID 136599734
4-amino-3-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-fluoro-1H-quinolin-2-one
CID 143484905
3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one
CID 91083494
4-amino-5-fluoro-3-[6-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 142896988
4-amino-3-[6-[2-[(dimethylamino)methyl]morpholin-4-yl]-1H-benzimidazol-2-yl]-5-fluoro-1H-quinolin-2-one
CID 136599725

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one?
The IUPAC name of 4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one (CID 136599885) is 4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one?
The canonical SMILES for 4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one is CN(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-(dimethylamino)-1H-quinolin-2-one?
The InChIKey is LNVQMVFWVGFOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-23(2)13-9-5-8-12-14(13)16(19)15(18(24)22-12)17-20-10-6-3-4-7-11(10)21-17/h3-9H,1-2H3,(H,20,21)(H3,19,22,24).
What are the key properties of 4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one?
4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one has a molecular weight of 319.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one is sourced from PubChem (CID 136599885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).