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

C21H22N6O — CID 135674133

IUPAC4-amino-3-(1H-benzimidazol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-quinolin-2-one
SMILESCN1CCN(c2cccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c23)CC1
InChIInChI=1S/C21H22N6O/c1-26-9-11-27(12-10-26)16-8-4-7-15-17(16)19(22)18(21(28)25-15)20-23-13-5-2-3-6-14(13)24-20/h2-8H,9-12H2,1H3,(H,23,24)(H3,22,25,28)
InChIKeyBBEVMAFPVMSMEU-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.41
Rot. Bonds2

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

4-amino-3-(1H-benzimidazol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-quinolin-2-one (PubChem CID 135674133) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-amino-3-(1H-benzimidazol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-3-(1H-benzimidazol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-quinolin-2-one
PubChem CID135674133
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name4-amino-3-(1H-benzimidazol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-quinolin-2-one
SMILESCN1CCN(c2cccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c23)CC1
InChIInChI=1S/C21H22N6O/c1-26-9-11-27(12-10-26)16-8-4-7-15-17(16)19(22)18(21(28)25-15)20-23-13-5-2-3-6-14(13)24-20/h2-8H,9-12H2,1H3,(H,23,24)(H3,22,25,28)
InChIKeyBBEVMAFPVMSMEU-UHFFFAOYSA-N
XLogP2.41
TPSA94.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1H-benzimidazol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-quinolin-2-one?
The IUPAC name of 4-amino-3-(1H-benzimidazol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-quinolin-2-one (CID 135674133) is 4-amino-3-(1H-benzimidazol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-3-(1H-benzimidazol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-quinolin-2-one?
The canonical SMILES for 4-amino-3-(1H-benzimidazol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-quinolin-2-one is CN1CCN(c2cccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c23)CC1.
What is the InChIKey of 4-amino-3-(1H-benzimidazol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-quinolin-2-one?
The InChIKey is BBEVMAFPVMSMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-26-9-11-27(12-10-26)16-8-4-7-15-17(16)19(22)18(21(28)25-15)20-23-13-5-2-3-6-14(13)24-20/h2-8H,9-12H2,1H3,(H,23,24)(H3,22,25,28).
What are the key properties of 4-amino-3-(1H-benzimidazol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-quinolin-2-one?
4-amino-3-(1H-benzimidazol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-quinolin-2-one has a molecular weight of 374.45 g/mol, XLogP of 2.41, 2 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-(4-methylpiperazin-1-yl)-1H-quinolin-2-one is sourced from PubChem (CID 135674133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).