8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine

C12H9ClN4O — CID 84638408

IUPAC8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine
SMILESCOc1cc2cc3cnc(N)nc3nc2cc1Cl
InChIInChI=1S/C12H9ClN4O/c1-18-10-3-6-2-7-5-15-12(14)17-11(7)16-9(6)4-8(10)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyUWJWYMYQYQISBI-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.42
Rot. Bonds1

About 8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine

8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine (PubChem CID 84638408) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine.

Molecular Properties

Compound Name8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine
PubChem CID84638408
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine
SMILESCOc1cc2cc3cnc(N)nc3nc2cc1Cl
InChIInChI=1S/C12H9ClN4O/c1-18-10-3-6-2-7-5-15-12(14)17-11(7)16-9(6)4-8(10)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyUWJWYMYQYQISBI-UHFFFAOYSA-N
XLogP2.42
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-dichloro-6-methoxy-3-methylquinoline
CID 28809488
6,7-dichloroquinazolin-2-amine
CID 611660
pyrimido[4,5-b]quinolin-2-amine
CID 10987174
6-chloro-8-methoxyquinazolin-2-amine
CID 175766269
7-bromopyrimido[4,5-b]quinolin-2-amine
CID 84642075
3-chloro-6,7-dimethoxy-2-methylquinoline
CID 174844835
6-chloro-7-methoxy-3-propan-2-ylquinoline
CID 154591513
5-chloro-4-(2-methoxy-5-nitrophenoxy)pyrimidin-2-amine
CID 80870767
4,5-dimethoxypyrimidin-2-amine
CID 12988104
6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine
CID 95473457
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392
2-(7-chloro-6-methoxyquinolin-2-yl)-2-methylpropan-1-amine
CID 84639694

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine?
The IUPAC name of 8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine (CID 84638408) is 8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine.
What is the SMILES notation for 8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine?
The canonical SMILES for 8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine is COc1cc2cc3cnc(N)nc3nc2cc1Cl.
What is the InChIKey of 8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine?
The InChIKey is UWJWYMYQYQISBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c1-18-10-3-6-2-7-5-15-12(14)17-11(7)16-9(6)4-8(10)13/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine?
8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine has a molecular weight of 260.68 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methoxypyrimido[4,5-b]quinolin-2-amine is sourced from PubChem (CID 84638408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).