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

C18H17ClF2N8 — CID 142423912

IUPAC8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methyltetrazol-2-yl)methyl]imidazo[4,5-c]quinoline
SMILESCc1nnn(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CN(C)CC2(F)F)n1
InChIInChI=1S/C18H17ClF2N8/c1-10-24-26-28(25-10)8-16-23-14-6-22-13-4-3-11(19)5-12(13)17(14)29(16)15-7-27(2)9-18(15,20)21/h3-6,15H,7-9H2,1-2H3
InChIKeyJQURNVPVNDWISU-UHFFFAOYSA-N
MW418.84 g/mol
LogP2.70
Rot. Bonds3

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

8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methyltetrazol-2-yl)methyl]imidazo[4,5-c]quinoline (PubChem CID 142423912) has the molecular formula C18H17ClF2N8 and a molecular weight of 418.84 g/mol. Its IUPAC name is 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methyltetrazol-2-yl)methyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methyltetrazol-2-yl)methyl]imidazo[4,5-c]quinoline
PubChem CID142423912
Molecular FormulaC18H17ClF2N8
Molecular Weight418.84 g/mol
Exact Mass418.12
IUPAC Name8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methyltetrazol-2-yl)methyl]imidazo[4,5-c]quinoline
SMILESCc1nnn(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CN(C)CC2(F)F)n1
InChIInChI=1S/C18H17ClF2N8/c1-10-24-26-28(25-10)8-16-23-14-6-22-13-4-3-11(19)5-12(13)17(14)29(16)15-7-27(2)9-18(15,20)21/h3-6,15H,7-9H2,1-2H3
InChIKeyJQURNVPVNDWISU-UHFFFAOYSA-N
XLogP2.70
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
6-[Difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 57338725
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-cyclopropyl-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidopyridin-1-ium
CID 167421287
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
6-Chloro-5-methyl-2-[2-[2-(2-methyl-4-pyridinyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 165414851
6-Chloro-5-methyl-2-[2-[1-(2-methyl-4-pyridinyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 165414855
6-[Difluoro-[6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127045833
5,7-Difluoro-3-(1-methylpyrazol-4-yl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137661996

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methyltetrazol-2-yl)methyl]imidazo[4,5-c]quinoline?
The IUPAC name of 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methyltetrazol-2-yl)methyl]imidazo[4,5-c]quinoline (CID 142423912) is 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methyltetrazol-2-yl)methyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methyltetrazol-2-yl)methyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methyltetrazol-2-yl)methyl]imidazo[4,5-c]quinoline is Cc1nnn(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CN(C)CC2(F)F)n1.
What is the InChIKey of 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methyltetrazol-2-yl)methyl]imidazo[4,5-c]quinoline?
The InChIKey is JQURNVPVNDWISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N8/c1-10-24-26-28(25-10)8-16-23-14-6-22-13-4-3-11(19)5-12(13)17(14)29(16)15-7-27(2)9-18(15,20)21/h3-6,15H,7-9H2,1-2H3.
What are the key properties of 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methyltetrazol-2-yl)methyl]imidazo[4,5-c]quinoline?
8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methyltetrazol-2-yl)methyl]imidazo[4,5-c]quinoline has a molecular weight of 418.84 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methyltetrazol-2-yl)methyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 142423912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).