4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one

C21H22N6O2 — CID 142670757

IUPAC4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESCN1CCNC(Oc2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)[nH]c3c2)C1
InChIInChI=1S/C21H22N6O2/c1-27-9-8-23-17(11-27)29-12-6-7-15-16(10-12)25-20(24-15)18-19(22)13-4-2-3-5-14(13)26-21(18)28/h2-7,10,17,23H,8-9,11H2,1H3,(H,24,25)(H3,22,26,28)
InChIKeyCHDHKROYWURNHA-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.89
Rot. Bonds3

About 4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one

4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one (PubChem CID 142670757) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one
PubChem CID142670757
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESCN1CCNC(Oc2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)[nH]c3c2)C1
InChIInChI=1S/C21H22N6O2/c1-27-9-8-23-17(11-27)29-12-6-7-15-16(10-12)25-20(24-15)18-19(22)13-4-2-3-5-14(13)26-21(18)28/h2-7,10,17,23H,8-9,11H2,1H3,(H,24,25)(H3,22,26,28)
InChIKeyCHDHKROYWURNHA-UHFFFAOYSA-N
XLogP1.89
TPSA112.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-amino-5-fluoro-3-[6-[(3S)-3-methylpiperazine-1-carbonyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 136599706
4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 172762451
4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,5-naphthyridin-2-one
CID 135839371
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-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135496141
4-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 136621476
4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(6-hydroxy-1H-benzimidazol-2-yl)-1H-quinolin-2-one
CID 135520151
3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one
CID 135464161
4-amino-3-[6-(2-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methylquinolin-2-one
CID 160669425
4-amino-5-fluoro-3-[6-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 136599569
4-(1,6-diazabicyclo[3.1.1]heptan-6-ylamino)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinolin-2-one
CID 142683850
3-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one
CID 135674129

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one (CID 142670757) is 4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one is CN1CCNC(Oc2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)[nH]c3c2)C1.
What is the InChIKey of 4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The InChIKey is CHDHKROYWURNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-27-9-8-23-17(11-27)29-12-6-7-15-16(10-12)25-20(24-15)18-19(22)13-4-2-3-5-14(13)26-21(18)28/h2-7,10,17,23H,8-9,11H2,1H3,(H,24,25)(H3,22,26,28).
What are the key properties of 4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one has a molecular weight of 390.45 g/mol, XLogP of 1.89, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 142670757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).