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

C21H21FN6O — CID 135926114

IUPAC4-amino-6-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESCN1CCN(c2ccc3nc(-c4c(N)c5cc(F)ccc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C21H21FN6O/c1-27-6-8-28(9-7-27)13-3-5-16-17(11-13)25-20(24-16)18-19(23)14-10-12(22)2-4-15(14)26-21(18)29/h2-5,10-11H,6-9H2,1H3,(H,24,25)(H3,23,26,29)
InChIKeyYCNDQMGBKRXDNQ-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.54
Rot. Bonds2

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

4-amino-6-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one (PubChem CID 135926114) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-amino-6-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-6-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
PubChem CID135926114
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name4-amino-6-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESCN1CCN(c2ccc3nc(-c4c(N)c5cc(F)ccc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C21H21FN6O/c1-27-6-8-28(9-7-27)13-3-5-16-17(11-13)25-20(24-16)18-19(23)14-10-12(22)2-4-15(14)26-21(18)29/h2-5,10-11H,6-9H2,1H3,(H,24,25)(H3,23,26,29)
InChIKeyYCNDQMGBKRXDNQ-UHFFFAOYSA-N
XLogP2.54
TPSA94.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 4-amino-6-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one (CID 135926114) is 4-amino-6-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-6-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 4-amino-6-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one is CN1CCN(c2ccc3nc(-c4c(N)c5cc(F)ccc5[nH]c4=O)[nH]c3c2)CC1.
What is the InChIKey of 4-amino-6-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The InChIKey is YCNDQMGBKRXDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-27-6-8-28(9-7-27)13-3-5-16-17(11-13)25-20(24-16)18-19(23)14-10-12(22)2-4-15(14)26-21(18)29/h2-5,10-11H,6-9H2,1H3,(H,24,25)(H3,23,26,29).
What are the key properties of 4-amino-6-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
4-amino-6-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one has a molecular weight of 392.44 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135926114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).