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

C20H19FN4O — CID 172767226

IUPAC3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-methylpropylamino)-1H-quinolin-2-one
SMILESCC(C)CNc1cc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)cc2cc1F
InChIInChI=1S/C20H19FN4O/c1-11(2)10-22-18-9-17-12(8-14(18)21)7-13(20(26)25-17)19-23-15-5-3-4-6-16(15)24-19/h3-9,11,22H,10H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyMMAIPMLWKKXETF-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.28
Rot. Bonds4

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

3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-methylpropylamino)-1H-quinolin-2-one (PubChem CID 172767226) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-methylpropylamino)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-methylpropylamino)-1H-quinolin-2-one
PubChem CID172767226
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-methylpropylamino)-1H-quinolin-2-one
SMILESCC(C)CNc1cc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)cc2cc1F
InChIInChI=1S/C20H19FN4O/c1-11(2)10-22-18-9-17-12(8-14(18)21)7-13(20(26)25-17)19-23-15-5-3-4-6-16(15)24-19/h3-9,11,22H,10H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyMMAIPMLWKKXETF-UHFFFAOYSA-N
XLogP4.28
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-methylpropylamino)-1H-quinolin-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-methylpropylamino)-1H-quinolin-2-one (CID 172767226) is 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-methylpropylamino)-1H-quinolin-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-methylpropylamino)-1H-quinolin-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-methylpropylamino)-1H-quinolin-2-one is CC(C)CNc1cc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)cc2cc1F.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-methylpropylamino)-1H-quinolin-2-one?
The InChIKey is MMAIPMLWKKXETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-11(2)10-22-18-9-17-12(8-14(18)21)7-13(20(26)25-17)19-23-15-5-3-4-6-16(15)24-19/h3-9,11,22H,10H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-methylpropylamino)-1H-quinolin-2-one?
3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-methylpropylamino)-1H-quinolin-2-one has a molecular weight of 350.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-methylpropylamino)-1H-quinolin-2-one is sourced from PubChem (CID 172767226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).