8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline

C18H16ClF2N7 — CID 142423883

IUPAC8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline
SMILESCN1CC(n2c(Cn3cncn3)nc3cnc4ccc(Cl)cc4c32)C(F)(F)C1
InChIInChI=1S/C18H16ClF2N7/c1-26-6-15(18(20,21)8-26)28-16(7-27-10-22-9-24-27)25-14-5-23-13-3-2-11(19)4-12(13)17(14)28/h2-5,9-10,15H,6-8H2,1H3
InChIKeyKIMFZTFAVICDGC-UHFFFAOYSA-N
MW403.82 g/mol
LogP3.00
Rot. Bonds3

About 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline

8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline (PubChem CID 142423883) has the molecular formula C18H16ClF2N7 and a molecular weight of 403.82 g/mol. Its IUPAC name is 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline
PubChem CID142423883
Molecular FormulaC18H16ClF2N7
Molecular Weight403.82 g/mol
Exact Mass403.11
IUPAC Name8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline
SMILESCN1CC(n2c(Cn3cncn3)nc3cnc4ccc(Cl)cc4c32)C(F)(F)C1
InChIInChI=1S/C18H16ClF2N7/c1-26-6-15(18(20,21)8-26)28-16(7-27-10-22-9-24-27)25-14-5-23-13-3-2-11(19)4-12(13)17(14)28/h2-5,9-10,15H,6-8H2,1H3
InChIKeyKIMFZTFAVICDGC-UHFFFAOYSA-N
XLogP3.00
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)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

Related Compounds

5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[(1R)-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidopyridin-1-ium
CID 164607232
3-[1-[[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methyl]imidazol-2-yl]benzonitrile
CID 10143705
5-(3-Chlorophenyl)-7-[(3-methylimidazol-4-yl)-(2-phenylimidazol-1-yl)methyl]tetrazolo[1,5-a]quinazoline
CID 10229664
8-Chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline
CID 142423813
5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[(1R)-2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidopyridin-1-ium
CID 167421549
3-(2-(1H-imidazol-1-yl)ethyl)-6-chloro-5-(1H-imidazol-1-yl)-2-methylquinoline
CID 44580826
3-[[5-[(3-chlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-6-fluoro-1H-indole
CID 168272497
3-[[5-[(3-chlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168288485
5-(3-Chlorophenyl)-7-[[2-(4-fluorophenyl)imidazol-1-yl]-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline
CID 10119478
15-Chloro-5-(difluoromethyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
CID 11544050
5-(3-Chlorophenyl)-7-[(2-ethylimidazol-1-yl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinazoline
CID 16724266
1-(1-Ethylpropyl)-2-ethyl-4-[2-chloro-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine
CID 18001622

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline?
The IUPAC name of 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline (CID 142423883) is 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline is CN1CC(n2c(Cn3cncn3)nc3cnc4ccc(Cl)cc4c32)C(F)(F)C1.
What is the InChIKey of 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline?
The InChIKey is KIMFZTFAVICDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N7/c1-26-6-15(18(20,21)8-26)28-16(7-27-10-22-9-24-27)25-14-5-23-13-3-2-11(19)4-12(13)17(14)28/h2-5,9-10,15H,6-8H2,1H3.
What are the key properties of 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline?
8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline has a molecular weight of 403.82 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 142423883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).