3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid

C18H13ClN6O2 — CID 137430357

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid
SMILESCn1ccc(-c2nc(N)c(C(=O)O)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C18H13ClN6O2/c1-25-6-4-12(24-25)15-14(22-16(18(26)27)17(20)23-15)10-7-9-3-2-5-21-13(9)11(19)8-10/h2-8H,1H3,(H2,20,23)(H,26,27)
InChIKeyAQGWGQILJQGTTD-UHFFFAOYSA-N
MW380.80 g/mol
LogP3.03
Rot. Bonds3

About 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid

3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid (PubChem CID 137430357) has the molecular formula C18H13ClN6O2 and a molecular weight of 380.80 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid
PubChem CID137430357
Molecular FormulaC18H13ClN6O2
Molecular Weight380.80 g/mol
Exact Mass380.08
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid
SMILESCn1ccc(-c2nc(N)c(C(=O)O)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C18H13ClN6O2/c1-25-6-4-12(24-25)15-14(22-16(18(26)27)17(20)23-15)10-7-9-3-2-5-21-13(9)11(19)8-10/h2-8H,1H3,(H2,20,23)(H,26,27)
InChIKeyAQGWGQILJQGTTD-UHFFFAOYSA-N
XLogP3.03
TPSA119.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid 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 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid (CID 137430357) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid is Cn1ccc(-c2nc(N)c(C(=O)O)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid?
The InChIKey is AQGWGQILJQGTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O2/c1-25-6-4-12(24-25)15-14(22-16(18(26)27)17(20)23-15)10-7-9-3-2-5-21-13(9)11(19)8-10/h2-8H,1H3,(H2,20,23)(H,26,27).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid?
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid has a molecular weight of 380.80 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 137430357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).