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

C21H21ClN6 — CID 142423913

IUPAC8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline
SMILESCc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CCN(C)C2)cn1
InChIInChI=1S/C21H21ClN6/c1-13-9-24-15(10-23-13)8-20-26-19-11-25-18-4-3-14(22)7-17(18)21(19)28(20)16-5-6-27(2)12-16/h3-4,7,9-11,16H,5-6,8,12H2,1-2H3/t16-/m1/s1
InChIKeyRBTCGKSCEVVCNI-MRXNPFEDSA-N
MW392.89 g/mol
LogP3.80
Rot. Bonds3

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

8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline (PubChem CID 142423913) has the molecular formula C21H21ClN6 and a molecular weight of 392.89 g/mol. Its IUPAC name is 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline
PubChem CID142423913
Molecular FormulaC21H21ClN6
Molecular Weight392.89 g/mol
Exact Mass392.15
IUPAC Name8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline
SMILESCc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CCN(C)C2)cn1
InChIInChI=1S/C21H21ClN6/c1-13-9-24-15(10-23-13)8-20-26-19-11-25-18-4-3-14(22)7-17(18)21(19)28(20)16-5-6-27(2)12-16/h3-4,7,9-11,16H,5-6,8,12H2,1-2H3/t16-/m1/s1
InChIKeyRBTCGKSCEVVCNI-MRXNPFEDSA-N
XLogP3.80
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]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-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline?
The IUPAC name of 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline (CID 142423913) is 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline?
The canonical SMILES for 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline is Cc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CCN(C)C2)cn1.
What is the InChIKey of 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline?
The InChIKey is RBTCGKSCEVVCNI-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21ClN6/c1-13-9-24-15(10-23-13)8-20-26-19-11-25-18-4-3-14(22)7-17(18)21(19)28(20)16-5-6-27(2)12-16/h3-4,7,9-11,16H,5-6,8,12H2,1-2H3/t16-/m1/s1.
What are the key properties of 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline?
8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline has a molecular weight of 392.89 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 142423913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).