8-chloro-1-(3,3-difluorooxan-4-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline

C19H17ClF2N6O — CID 153407888

IUPAC8-chloro-1-(3,3-difluorooxan-4-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline
SMILESCc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCOCC2(F)F)nn1
InChIInChI=1S/C19H17ClF2N6O/c1-11-8-27(26-25-11)9-17-24-15-7-23-14-3-2-12(20)6-13(14)18(15)28(17)16-4-5-29-10-19(16,21)22/h2-3,6-8,16H,4-5,9-10H2,1H3
InChIKeyILDKLXJMIUPRLE-UHFFFAOYSA-N
MW418.84 g/mol
LogP3.78
Rot. Bonds3

About 8-chloro-1-(3,3-difluorooxan-4-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline

8-chloro-1-(3,3-difluorooxan-4-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline (PubChem CID 153407888) has the molecular formula C19H17ClF2N6O and a molecular weight of 418.84 g/mol. Its IUPAC name is 8-chloro-1-(3,3-difluorooxan-4-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-chloro-1-(3,3-difluorooxan-4-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline
PubChem CID153407888
Molecular FormulaC19H17ClF2N6O
Molecular Weight418.84 g/mol
Exact Mass418.11
IUPAC Name8-chloro-1-(3,3-difluorooxan-4-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline
SMILESCc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCOCC2(F)F)nn1
InChIInChI=1S/C19H17ClF2N6O/c1-11-8-27(26-25-11)9-17-24-15-7-23-14-3-2-12(20)6-13(14)18(15)28(17)16-4-5-29-10-19(16,21)22/h2-3,6-8,16H,4-5,9-10H2,1H3
InChIKeyILDKLXJMIUPRLE-UHFFFAOYSA-N
XLogP3.78
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-chloro-1-(3,3-difluorooxan-4-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(3,3-difluorooxan-4-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline?
The IUPAC name of 8-chloro-1-(3,3-difluorooxan-4-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline (CID 153407888) is 8-chloro-1-(3,3-difluorooxan-4-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-chloro-1-(3,3-difluorooxan-4-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 8-chloro-1-(3,3-difluorooxan-4-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline is Cc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCOCC2(F)F)nn1.
What is the InChIKey of 8-chloro-1-(3,3-difluorooxan-4-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline?
The InChIKey is ILDKLXJMIUPRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N6O/c1-11-8-27(26-25-11)9-17-24-15-7-23-14-3-2-12(20)6-13(14)18(15)28(17)16-4-5-29-10-19(16,21)22/h2-3,6-8,16H,4-5,9-10H2,1H3.
What are the key properties of 8-chloro-1-(3,3-difluorooxan-4-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline?
8-chloro-1-(3,3-difluorooxan-4-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline has a molecular weight of 418.84 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(3,3-difluorooxan-4-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 153407888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).