7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one

C19H16F2N4O — CID 143559211

IUPAC7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one
SMILESCC(C)c1nc2ccncc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C19H16F2N4O/c1-10(2)19-23-14-5-6-22-8-15(14)25(19)9-11-7-16(26)24-18-12(11)3-4-13(20)17(18)21/h3-8,10H,9H2,1-2H3,(H,24,26)
InChIKeyGHAPENYEFQQVJE-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.72
Rot. Bonds3

About 7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one

7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one (PubChem CID 143559211) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one
PubChem CID143559211
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one
SMILESCC(C)c1nc2ccncc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C19H16F2N4O/c1-10(2)19-23-14-5-6-22-8-15(14)25(19)9-11-7-16(26)24-18-12(11)3-4-13(20)17(18)21/h3-8,10H,9H2,1-2H3,(H,24,26)
InChIKeyGHAPENYEFQQVJE-UHFFFAOYSA-N
XLogP3.72
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one (CID 143559211) is 7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one is CC(C)c1nc2ccncc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12.
What is the InChIKey of 7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one?
The InChIKey is GHAPENYEFQQVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-10(2)19-23-14-5-6-22-8-15(14)25(19)9-11-7-16(26)24-18-12(11)3-4-13(20)17(18)21/h3-8,10H,9H2,1-2H3,(H,24,26).
What are the key properties of 7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one?
7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one has a molecular weight of 354.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-4-[(2-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 143559211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).