3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one

C21H20FN5O — CID 142670740

IUPAC3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one
SMILESCN1CCN(c2cc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)cc3cc2F)CC1
InChIInChI=1S/C21H20FN5O/c1-26-6-8-27(9-7-26)19-12-18-13(11-15(19)22)10-14(21(28)25-18)20-23-16-4-2-3-5-17(16)24-20/h2-5,10-12H,6-9H2,1H3,(H,23,24)(H,25,28)
InChIKeyMRHDIAXHHIDMKO-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.96
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one

3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one (PubChem CID 142670740) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one
PubChem CID142670740
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one
SMILESCN1CCN(c2cc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)cc3cc2F)CC1
InChIInChI=1S/C21H20FN5O/c1-26-6-8-27(9-7-26)19-12-18-13(11-15(19)22)10-14(21(28)25-18)20-23-16-4-2-3-5-17(16)24-20/h2-5,10-12H,6-9H2,1H3,(H,23,24)(H,25,28)
InChIKeyMRHDIAXHHIDMKO-UHFFFAOYSA-N
XLogP2.96
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole
CID 168555198
3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one
CID 172707938
3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-methylpropylamino)-1H-quinolin-2-one
CID 172767226
3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one
CID 147955054
5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
CID 135834134
[2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 4915258
7-amino-6-[6-fluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-selenopheno[3,2-b]pyridin-5-one
CID 168931892
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2-(5-fluoro-1-benzothiophen-6-yl)-1H-benzimidazole
CID 168555424
2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole
CID 133410828
1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 123829889
6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
CID 59995572

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one (CID 142670740) is 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one is CN1CCN(c2cc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)cc3cc2F)CC1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one?
The InChIKey is MRHDIAXHHIDMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-26-6-8-27(9-7-26)19-12-18-13(11-15(19)22)10-14(21(28)25-18)20-23-16-4-2-3-5-17(16)24-20/h2-5,10-12H,6-9H2,1H3,(H,23,24)(H,25,28).
What are the key properties of 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one?
3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one has a molecular weight of 377.42 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one is sourced from PubChem (CID 142670740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).