6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine

C11H12N4O2 — CID 68596713

IUPAC6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine
SMILESC=NNc1ncnc2cc(OC)c(OC)cc12
InChIInChI=1S/C11H12N4O2/c1-12-15-11-7-4-9(16-2)10(17-3)5-8(7)13-6-14-11/h4-6H,1H2,2-3H3,(H,13,14,15)
InChIKeyTVUOZYZUMQKWQO-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.67
Rot. Bonds4

About 6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine

6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine (PubChem CID 68596713) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine
PubChem CID68596713
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine
SMILESC=NNc1ncnc2cc(OC)c(OC)cc12
InChIInChI=1S/C11H12N4O2/c1-12-15-11-7-4-9(16-2)10(17-3)5-8(7)13-6-14-11/h4-6H,1H2,2-3H3,(H,13,14,15)
InChIKeyTVUOZYZUMQKWQO-UHFFFAOYSA-N
XLogP1.67
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine
CID 110194361
N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide
CID 155236083
6,7-dimethoxy-4-methylquinazoline
CID 4319422
(2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate
CID 7174370
N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 24936078
N-(6,7-dimethoxyquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 21002974
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
CID 175487045
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 18770778
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine
CID 10404612

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine (CID 68596713) is 6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine is C=NNc1ncnc2cc(OC)c(OC)cc12.
What is the InChIKey of 6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine?
The InChIKey is TVUOZYZUMQKWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-12-15-11-7-4-9(16-2)10(17-3)5-8(7)13-6-14-11/h4-6H,1H2,2-3H3,(H,13,14,15).
What are the key properties of 6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine?
6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine has a molecular weight of 232.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine is sourced from PubChem (CID 68596713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).