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

C21H19ClF2N6 — CID 142423863

IUPAC8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
SMILESCc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CN(C)CC2(F)F)cn1
InChIInChI=1S/C21H19ClF2N6/c1-12-7-26-14(8-25-12)6-19-28-17-9-27-16-4-3-13(22)5-15(16)20(17)30(19)18-10-29(2)11-21(18,23)24/h3-5,7-9,18H,6,10-11H2,1-2H3
InChIKeyKHSSKAIROFJTQT-UHFFFAOYSA-N
MW428.87 g/mol
LogP4.05
Rot. Bonds3

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

8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline (PubChem CID 142423863) has the molecular formula C21H19ClF2N6 and a molecular weight of 428.87 g/mol. Its IUPAC name is 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
PubChem CID142423863
Molecular FormulaC21H19ClF2N6
Molecular Weight428.87 g/mol
Exact Mass428.13
IUPAC Name8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
SMILESCc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CN(C)CC2(F)F)cn1
InChIInChI=1S/C21H19ClF2N6/c1-12-7-26-14(8-25-12)6-19-28-17-9-27-16-4-3-13(22)5-15(16)20(17)30(19)18-10-29(2)11-21(18,23)24/h3-5,7-9,18H,6,10-11H2,1-2H3
InChIKeyKHSSKAIROFJTQT-UHFFFAOYSA-N
XLogP4.05
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methylpyrazin-2-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-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline?
The IUPAC name of 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline (CID 142423863) is 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methylpyrazin-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-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline is Cc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CN(C)CC2(F)F)cn1.
What is the InChIKey of 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline?
The InChIKey is KHSSKAIROFJTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N6/c1-12-7-26-14(8-25-12)6-19-28-17-9-27-16-4-3-13(22)5-15(16)20(17)30(19)18-10-29(2)11-21(18,23)24/h3-5,7-9,18H,6,10-11H2,1-2H3.
What are the key properties of 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline?
8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline has a molecular weight of 428.87 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 142423863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).