2-chloroquinolin-3-amine;quinolin-3-amine

C18H15ClN4 — CID 87752859

IUPAC2-chloroquinolin-3-amine;quinolin-3-amine
SMILESNc1cc2ccccc2nc1Cl.Nc1cnc2ccccc2c1
InChIInChI=1S/C9H7ClN2.C9H8N2/c10-9-7(11)5-6-3-1-2-4-8(6)12-9;10-8-5-7-3-1-2-4-9(7)11-6-8/h1-5H,11H2;1-6H,10H2
InChIKeyDNUFTAJGQQWZBA-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.29
Rot. Bonds

About 2-chloroquinolin-3-amine;quinolin-3-amine

2-chloroquinolin-3-amine;quinolin-3-amine (PubChem CID 87752859) has the molecular formula C18H15ClN4 and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-chloroquinolin-3-amine;quinolin-3-amine.

Molecular Properties

Compound Name2-chloroquinolin-3-amine;quinolin-3-amine
PubChem CID87752859
Molecular FormulaC18H15ClN4
Molecular Weight322.80 g/mol
Exact Mass322.10
IUPAC Name2-chloroquinolin-3-amine;quinolin-3-amine
SMILESNc1cc2ccccc2nc1Cl.Nc1cnc2ccccc2c1
InChIInChI=1S/C9H7ClN2.C9H8N2/c10-9-7(11)5-6-3-1-2-4-8(6)12-9;10-8-5-7-3-1-2-4-9(7)11-6-8/h1-5H,11H2;1-6H,10H2
InChIKeyDNUFTAJGQQWZBA-UHFFFAOYSA-N
XLogP4.29
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloroquinolin-3-amine;quinolin-3-amine 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 2-chloroquinolin-3-amine;quinolin-3-amine?
The IUPAC name of 2-chloroquinolin-3-amine;quinolin-3-amine (CID 87752859) is 2-chloroquinolin-3-amine;quinolin-3-amine.
What is the SMILES notation for 2-chloroquinolin-3-amine;quinolin-3-amine?
The canonical SMILES for 2-chloroquinolin-3-amine;quinolin-3-amine is Nc1cc2ccccc2nc1Cl.Nc1cnc2ccccc2c1.
What is the InChIKey of 2-chloroquinolin-3-amine;quinolin-3-amine?
The InChIKey is DNUFTAJGQQWZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2.C9H8N2/c10-9-7(11)5-6-3-1-2-4-8(6)12-9;10-8-5-7-3-1-2-4-9(7)11-6-8/h1-5H,11H2;1-6H,10H2.
What are the key properties of 2-chloroquinolin-3-amine;quinolin-3-amine?
2-chloroquinolin-3-amine;quinolin-3-amine has a molecular weight of 322.80 g/mol, XLogP of 4.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroquinolin-3-amine;quinolin-3-amine is sourced from PubChem (CID 87752859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).