2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline

C23H16ClFN4O — CID 67173725

IUPAC2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline
SMILESCOCc1nc2cnccc2n1-c1cc(-c2cc(Cl)ccc2F)nc2ccccc12
InChIInChI=1S/C23H16ClFN4O/c1-30-13-23-28-20-12-26-9-8-21(20)29(23)22-11-19(16-10-14(24)6-7-17(16)25)27-18-5-3-2-4-15(18)22/h2-12H,13H2,1H3
InChIKeyHTXMRJKPIGDEMJ-UHFFFAOYSA-N
MW418.86 g/mol
LogP5.57
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline

2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline (PubChem CID 67173725) has the molecular formula C23H16ClFN4O and a molecular weight of 418.86 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline
PubChem CID67173725
Molecular FormulaC23H16ClFN4O
Molecular Weight418.86 g/mol
Exact Mass418.10
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline
SMILESCOCc1nc2cnccc2n1-c1cc(-c2cc(Cl)ccc2F)nc2ccccc12
InChIInChI=1S/C23H16ClFN4O/c1-30-13-23-28-20-12-26-9-8-21(20)29(23)22-11-19(16-10-14(24)6-7-17(16)25)27-18-5-3-2-4-15(18)22/h2-12H,13H2,1H3
InChIKeyHTXMRJKPIGDEMJ-UHFFFAOYSA-N
XLogP5.57
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.86
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline (CID 67173725) is 2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline is COCc1nc2cnccc2n1-c1cc(-c2cc(Cl)ccc2F)nc2ccccc12.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline?
The InChIKey is HTXMRJKPIGDEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN4O/c1-30-13-23-28-20-12-26-9-8-21(20)29(23)22-11-19(16-10-14(24)6-7-17(16)25)27-18-5-3-2-4-15(18)22/h2-12H,13H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline?
2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline has a molecular weight of 418.86 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline is sourced from PubChem (CID 67173725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).