4-(2-aminoethylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one

C20H21N5O3 — CID 89453833

IUPAC4-(2-aminoethylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NCCN)c2cc1OC
InChIInChI=1S/C20H21N5O3/c1-27-15-9-11-14(10-16(15)28-2)25-20(26)17(18(11)22-8-7-21)19-23-12-5-3-4-6-13(12)24-19/h3-6,9-10H,7-8,21H2,1-2H3,(H,23,24)(H2,22,25,26)
InChIKeyCBHCGJSNZXRWNY-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.46
Rot. Bonds6

About 4-(2-aminoethylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one

4-(2-aminoethylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one (PubChem CID 89453833) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-(2-aminoethylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2-aminoethylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one
PubChem CID89453833
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-(2-aminoethylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NCCN)c2cc1OC
InChIInChI=1S/C20H21N5O3/c1-27-15-9-11-14(10-16(15)28-2)25-20(26)17(18(11)22-8-7-21)19-23-12-5-3-4-6-13(12)24-19/h3-6,9-10H,7-8,21H2,1-2H3,(H,23,24)(H2,22,25,26)
InChIKeyCBHCGJSNZXRWNY-UHFFFAOYSA-N
XLogP2.46
TPSA118.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-4-(3-pyrrolidin-1-ylpropylamino)-1H-quinolin-2-one
CID 89453725
3-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one
CID 135674129
3-(6-fluoro-1H-benzimidazol-2-yl)-6,7-dimethoxy-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one
CID 89453325
methyl 4-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]-3-(1H-benzimidazol-2-yl)-7-methoxy-2-oxo-1H-quinolin-6-yl]benzoate
CID 89453419
2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
CID 2343559
2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole
CID 168555207
4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-hydroxyethylamino)-1H-quinolin-2-one
CID 89453736
3-(1H-benzimidazol-2-yl)-6-methyl-4-(piperidin-4-ylamino)-1H-quinolin-2-one
CID 135489323
N-[2-[[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-3-(1H-benzimidazol-2-yl)-6-fluoro-2-oxo-1H-quinolin-7-yl]amino]ethyl]acetamide
CID 89453371
6-bromo-3-(6-fluoro-1H-benzimidazol-2-yl)-4-[2-(methylamino)ethylamino]-1H-quinolin-2-one
CID 136599502
2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole
CID 168555188
4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-3-(1H-benzimidazol-2-yl)-7-(diethylamino)-6-fluoro-1H-quinolin-2-one
CID 90309230

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one?
The IUPAC name of 4-(2-aminoethylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one (CID 89453833) is 4-(2-aminoethylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one.
What is the SMILES notation for 4-(2-aminoethylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one?
The canonical SMILES for 4-(2-aminoethylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one is COc1cc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NCCN)c2cc1OC.
What is the InChIKey of 4-(2-aminoethylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one?
The InChIKey is CBHCGJSNZXRWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-27-15-9-11-14(10-16(15)28-2)25-20(26)17(18(11)22-8-7-21)19-23-12-5-3-4-6-13(12)24-19/h3-6,9-10H,7-8,21H2,1-2H3,(H,23,24)(H2,22,25,26).
What are the key properties of 4-(2-aminoethylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one?
4-(2-aminoethylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one has a molecular weight of 379.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one is sourced from PubChem (CID 89453833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).