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

C25H19ClF2N4O2 — CID 171514456

IUPAC7-chloro-2-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-4-one
SMILESCc1ncccc1-n1c(=O)c2nc(Cc3ccc(OC(F)F)cc3)n(C)c2c2ccc(Cl)cc21
InChIInChI=1S/C25H19ClF2N4O2/c1-14-19(4-3-11-29-14)32-20-13-16(26)7-10-18(20)23-22(24(32)33)30-21(31(23)2)12-15-5-8-17(9-6-15)34-25(27)28/h3-11,13,25H,12H2,1-2H3
InChIKeyINVUYJCUFKEFOT-UHFFFAOYSA-N
MW480.90 g/mol
LogP5.43
Rot. Bonds5

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

7-chloro-2-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-4-one (PubChem CID 171514456) has the molecular formula C25H19ClF2N4O2 and a molecular weight of 480.90 g/mol. Its IUPAC name is 7-chloro-2-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-4-one
PubChem CID171514456
Molecular FormulaC25H19ClF2N4O2
Molecular Weight480.90 g/mol
Exact Mass480.12
IUPAC Name7-chloro-2-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-4-one
SMILESCc1ncccc1-n1c(=O)c2nc(Cc3ccc(OC(F)F)cc3)n(C)c2c2ccc(Cl)cc21
InChIInChI=1S/C25H19ClF2N4O2/c1-14-19(4-3-11-29-14)32-20-13-16(26)7-10-18(20)23-22(24(32)33)30-21(31(23)2)12-15-5-8-17(9-6-15)34-25(27)28/h3-11,13,25H,12H2,1-2H3
InChIKeyINVUYJCUFKEFOT-UHFFFAOYSA-N
XLogP5.43
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.90
LogP ≤ 55.43
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-(difluoromethoxy)phenyl]methyl]-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-4-one?
The IUPAC name of 7-chloro-2-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-4-one (CID 171514456) is 7-chloro-2-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-2-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-chloro-2-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-4-one is Cc1ncccc1-n1c(=O)c2nc(Cc3ccc(OC(F)F)cc3)n(C)c2c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-2-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-4-one?
The InChIKey is INVUYJCUFKEFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF2N4O2/c1-14-19(4-3-11-29-14)32-20-13-16(26)7-10-18(20)23-22(24(32)33)30-21(31(23)2)12-15-5-8-17(9-6-15)34-25(27)28/h3-11,13,25H,12H2,1-2H3.
What are the key properties of 7-chloro-2-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-4-one?
7-chloro-2-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-4-one has a molecular weight of 480.90 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 171514456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).