2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine

C14H14N4O — CID 84635194

IUPAC2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine
SMILESCOc1cccc2cc3cnc(CCN)nc3nc12
InChIInChI=1S/C14H14N4O/c1-19-11-4-2-3-9-7-10-8-16-12(5-6-15)17-14(10)18-13(9)11/h2-4,7-8H,5-6,15H2,1H3
InChIKeyGUJVVSMUHVBRBV-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.69
Rot. Bonds3

About 2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine

2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine (PubChem CID 84635194) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine
PubChem CID84635194
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine
SMILESCOc1cccc2cc3cnc(CCN)nc3nc12
InChIInChI=1S/C14H14N4O/c1-19-11-4-2-3-9-7-10-8-16-12(5-6-15)17-14(10)18-13(9)11/h2-4,7-8H,5-6,15H2,1H3
InChIKeyGUJVVSMUHVBRBV-UHFFFAOYSA-N
XLogP1.69
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine 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-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine
CID 84634645
(9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine
CID 84631736
5-methoxyacridin-4-amine
CID 11053298
8-methoxyquinolin-3-amine;dihydrochloride
CID 53396928
N-methyl-1-(9-methylpyrimido[4,5-b]quinolin-2-yl)methanamine
CID 84629127
8-methoxy-3-propylquinolin-2-amine
CID 63232389
2-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 66592603
3-bromo-8-methoxyquinolin-2-amine
CID 97181839
1,4-difluoro-5-methoxyacridine
CID 134863233
8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine
CID 68554779
2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63987113
4-(8-methoxyquinolin-4-yl)butan-1-amine
CID 10609508

Frequently Asked Questions

What is the IUPAC name of 2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine?
The IUPAC name of 2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine (CID 84635194) is 2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine?
The canonical SMILES for 2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine is COc1cccc2cc3cnc(CCN)nc3nc12.
What is the InChIKey of 2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine?
The InChIKey is GUJVVSMUHVBRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-19-11-4-2-3-9-7-10-8-16-12(5-6-15)17-14(10)18-13(9)11/h2-4,7-8H,5-6,15H2,1H3.
What are the key properties of 2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine?
2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine has a molecular weight of 254.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine is sourced from PubChem (CID 84635194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).