7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-4-one

C25H18ClF3N4O2 — CID 171514517

IUPAC7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cc2nc3c(=O)n(-c4cccnc4C(F)(F)F)c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C25H18ClF3N4O2/c1-32-20(12-14-5-8-16(35-2)9-6-14)31-21-22(32)17-10-7-15(26)13-19(17)33(24(21)34)18-4-3-11-30-23(18)25(27,28)29/h3-11,13H,12H2,1-2H3
InChIKeyHDEFXHRBYYNRMG-UHFFFAOYSA-N
MW498.89 g/mol
LogP5.54
Rot. Bonds4

About 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-4-one

7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-4-one (PubChem CID 171514517) has the molecular formula C25H18ClF3N4O2 and a molecular weight of 498.89 g/mol. Its IUPAC name is 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-4-one
PubChem CID171514517
Molecular FormulaC25H18ClF3N4O2
Molecular Weight498.89 g/mol
Exact Mass498.11
IUPAC Name7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cc2nc3c(=O)n(-c4cccnc4C(F)(F)F)c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C25H18ClF3N4O2/c1-32-20(12-14-5-8-16(35-2)9-6-14)31-21-22(32)17-10-7-15(26)13-19(17)33(24(21)34)18-4-3-11-30-23(18)25(27,28)29/h3-11,13H,12H2,1-2H3
InChIKeyHDEFXHRBYYNRMG-UHFFFAOYSA-N
XLogP5.54
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.89
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-4-one?
The IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-4-one (CID 171514517) is 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-4-one is COc1ccc(Cc2nc3c(=O)n(-c4cccnc4C(F)(F)F)c4cc(Cl)ccc4c3n2C)cc1.
What is the InChIKey of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-4-one?
The InChIKey is HDEFXHRBYYNRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF3N4O2/c1-32-20(12-14-5-8-16(35-2)9-6-14)31-21-22(32)17-10-7-15(26)13-19(17)33(24(21)34)18-4-3-11-30-23(18)25(27,28)29/h3-11,13H,12H2,1-2H3.
What are the key properties of 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-4-one?
7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-4-one has a molecular weight of 498.89 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 171514517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).