4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one

C22H25FN6O — CID 146232311

IUPAC4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one
SMILESCN1CCN(c2ccc3nc(C4C(=O)Nc5cccc(F)c5C4(C)N)[nH]c3c2)CC1
InChIInChI=1S/C22H25FN6O/c1-22(24)18-14(23)4-3-5-16(18)27-21(30)19(22)20-25-15-7-6-13(12-17(15)26-20)29-10-8-28(2)9-11-29/h3-7,12,19H,8-11,24H2,1-2H3,(H,25,26)(H,27,30)
InChIKeyWJHOAVLCMTWJMS-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.36
Rot. Bonds2

About 4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one

4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one (PubChem CID 146232311) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is 4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one
PubChem CID146232311
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one
SMILESCN1CCN(c2ccc3nc(C4C(=O)Nc5cccc(F)c5C4(C)N)[nH]c3c2)CC1
InChIInChI=1S/C22H25FN6O/c1-22(24)18-14(23)4-3-5-16(18)27-21(30)19(22)20-25-15-7-6-13(12-17(15)26-20)29-10-8-28(2)9-11-29/h3-7,12,19H,8-11,24H2,1-2H3,(H,25,26)(H,27,30)
InChIKeyWJHOAVLCMTWJMS-UHFFFAOYSA-N
XLogP2.36
TPSA90.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 67319772
1-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2-one
CID 57336746
6-(4-methylpiperazin-1-yl)-1H-benzimidazole-2-sulfonic acid
CID 87680464
4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine
CID 59279365
[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone
CID 45488171
4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one;but-1-ene-2,3-diol
CID 176571063
4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole
CID 59785439
4-amino-5-fluoro-8-hydroxy-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 167713312
4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
CID 163663064
1-[4-(3-fluorophenyl)-2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone
CID 154688883
4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,5-naphthyridin-2-one
CID 135839371
3-[6-(4-acetylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-amino-5-fluoro-1H-quinolin-2-one
CID 136599734

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one?
The IUPAC name of 4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one (CID 146232311) is 4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one?
The canonical SMILES for 4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one is CN1CCN(c2ccc3nc(C4C(=O)Nc5cccc(F)c5C4(C)N)[nH]c3c2)CC1.
What is the InChIKey of 4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one?
The InChIKey is WJHOAVLCMTWJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-22(24)18-14(23)4-3-5-16(18)27-21(30)19(22)20-25-15-7-6-13(12-17(15)26-20)29-10-8-28(2)9-11-29/h3-7,12,19H,8-11,24H2,1-2H3,(H,25,26)(H,27,30).
What are the key properties of 4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one?
4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one has a molecular weight of 408.48 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-4-methyl-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 146232311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).