1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine

C14H14N4O — CID 84635207

IUPAC1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine
SMILESCNCc1ncc2cc3ccc(OC)cc3nc2n1
InChIInChI=1S/C14H14N4O/c1-15-8-13-16-7-10-5-9-3-4-11(19-2)6-12(9)17-14(10)18-13/h3-7,15H,8H2,1-2H3
InChIKeyAXTSMWAJJOUVQV-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.91
Rot. Bonds3

About 1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine

1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine (PubChem CID 84635207) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine
PubChem CID84635207
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine
SMILESCNCc1ncc2cc3ccc(OC)cc3nc2n1
InChIInChI=1S/C14H14N4O/c1-15-8-13-16-7-10-5-9-3-4-11(19-2)6-12(9)17-14(10)18-13/h3-7,15H,8H2,1-2H3
InChIKeyAXTSMWAJJOUVQV-UHFFFAOYSA-N
XLogP1.91
TPSA59.93 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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(7-methoxyquinazolin-2-yl)-N-methylmethanamine
CID 105455359
1-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine
CID 84634646
7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine
CID 84629665
2-chloro-7-methoxyquinazoline
CID 55251455
N-methyl-3-[6-[3-(methylamino)propoxy]acridin-3-yl]oxypropan-1-amine;hydrate;hydrochloride
CID 45260080
N-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine
CID 146331836
2-(aminomethyl)-8-methoxypyrimido[4,5-b]quinolin-4-amine
CID 84635642
2-(7-methoxy-3-methylquinolin-2-yl)-N-methylethanamine
CID 82242810
7-methoxy-2,3-dimethylquinoline
CID 58717059
N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride
CID 20553444
3-ethyl-7-methoxyquinoline
CID 14361549
3-bromo-7-methoxyquinoline
CID 18788548

Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine (CID 84635207) is 1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine is CNCc1ncc2cc3ccc(OC)cc3nc2n1.
What is the InChIKey of 1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine?
The InChIKey is AXTSMWAJJOUVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-15-8-13-16-7-10-5-9-3-4-11(19-2)6-12(9)17-14(10)18-13/h3-7,15H,8H2,1-2H3.
What are the key properties of 1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine?
1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine has a molecular weight of 254.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84635207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).