7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine

C13H12N4O — CID 84629665

IUPAC7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine
SMILESCNc1ncc2cc3cc(OC)ccc3nc2n1
InChIInChI=1S/C13H12N4O/c1-14-13-15-7-9-5-8-6-10(18-2)3-4-11(8)16-12(9)17-13/h3-7H,1-2H3,(H,14,15,16,17)
InChIKeyXGJLLCRSUXYNAS-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.23
Rot. Bonds2

About 7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine

7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine (PubChem CID 84629665) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine.

Molecular Properties

Compound Name7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine
PubChem CID84629665
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine
SMILESCNc1ncc2cc3cc(OC)ccc3nc2n1
InChIInChI=1S/C13H12N4O/c1-14-13-15-7-9-5-8-6-10(18-2)3-4-11(8)16-12(9)17-13/h3-7H,1-2H3,(H,14,15,16,17)
InChIKeyXGJLLCRSUXYNAS-UHFFFAOYSA-N
XLogP2.23
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.23
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-(8-methoxypyrimido[4,5-b]quinolin-2-yl)-N-methylmethanamine
CID 84635207
6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine
CID 163369293
6-methoxy-2-methylquinazoline
CID 54578216
N-butyl-6-methoxyquinazolin-2-amine
CID 141287869
4-N-(4-methoxy-2-methylphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80824828
1-(6-methoxyquinazolin-2-yl)-N-methylethanamine
CID 105471328
5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 116976946
5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine
CID 24804067
4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
CID 116900581
4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 104708791
6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine
CID 86697012
7-methoxy-N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 163369223

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine?
The IUPAC name of 7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine (CID 84629665) is 7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine.
What is the SMILES notation for 7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine?
The canonical SMILES for 7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine is CNc1ncc2cc3cc(OC)ccc3nc2n1.
What is the InChIKey of 7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine?
The InChIKey is XGJLLCRSUXYNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-14-13-15-7-9-5-8-6-10(18-2)3-4-11(8)16-12(9)17-13/h3-7H,1-2H3,(H,14,15,16,17).
What are the key properties of 7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine?
7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine has a molecular weight of 240.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine is sourced from PubChem (CID 84629665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).