1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one

C21H12ClFN4O — CID 52919253

IUPAC1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2cnccc2n1-c1cc(-c2cc(Cl)ccc2F)nc2ccccc12
InChIInChI=1S/C21H12ClFN4O/c22-12-5-6-15(23)14(9-12)17-10-20(13-3-1-2-4-16(13)25-17)27-19-7-8-24-11-18(19)26-21(27)28/h1-11H,(H,26,28)
InChIKeyQHOJEOXIRWBKJA-UHFFFAOYSA-N
MW390.81 g/mol
LogP4.72
Rot. Bonds2

About 1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one

1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 52919253) has the molecular formula C21H12ClFN4O and a molecular weight of 390.81 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID52919253
Molecular FormulaC21H12ClFN4O
Molecular Weight390.81 g/mol
Exact Mass390.07
IUPAC Name1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2cnccc2n1-c1cc(-c2cc(Cl)ccc2F)nc2ccccc12
InChIInChI=1S/C21H12ClFN4O/c22-12-5-6-15(23)14(9-12)17-10-20(13-3-1-2-4-16(13)25-17)27-19-7-8-24-11-18(19)26-21(27)28/h1-11H,(H,26,28)
InChIKeyQHOJEOXIRWBKJA-UHFFFAOYSA-N
XLogP4.72
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.81
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one (CID 52919253) is 1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one is O=c1[nH]c2cnccc2n1-c1cc(-c2cc(Cl)ccc2F)nc2ccccc12.
What is the InChIKey of 1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is QHOJEOXIRWBKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClFN4O/c22-12-5-6-15(23)14(9-12)17-10-20(13-3-1-2-4-16(13)25-17)27-19-7-8-24-11-18(19)26-21(27)28/h1-11H,(H,26,28).
What are the key properties of 1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one?
1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 390.81 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 52919253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).