4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine

C16H16N4O — CID 65337366

IUPAC4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine
SMILESCOc1ccc(N(C)c2ncnc3cc(N)ccc23)cc1
InChIInChI=1S/C16H16N4O/c1-20(12-4-6-13(21-2)7-5-12)16-14-8-3-11(17)9-15(14)18-10-19-16/h3-10H,17H2,1-2H3
InChIKeyMQGAOZBGKYIWCT-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.99
Rot. Bonds3

About 4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine

4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine (PubChem CID 65337366) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine
PubChem CID65337366
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine
SMILESCOc1ccc(N(C)c2ncnc3cc(N)ccc23)cc1
InChIInChI=1S/C16H16N4O/c1-20(12-4-6-13(21-2)7-5-12)16-14-8-3-11(17)9-15(14)18-10-19-16/h3-10H,17H2,1-2H3
InChIKeyMQGAOZBGKYIWCT-UHFFFAOYSA-N
XLogP2.99
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3,5-dimethylphenyl)-4-N-methylquinazoline-4,7-diamine
CID 65336645
4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine
CID 46883986
4-N-methyl-4-N-(3-methylphenyl)quinazoline-4,7-diamine
CID 65336690
4-N-methyl-4-N-(4-methylphenyl)quinazoline-4,6-diamine
CID 64587921
N-butyl-7-methoxy-N-methylquinazolin-4-amine
CID 21003105
2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine
CID 80653743
4-methylquinazolin-7-amine
CID 90920738
4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine
CID 68515654
4-[2-(dimethylamino)ethoxy]quinazolin-7-amine
CID 65336522
3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide
CID 106914151
4-N-benzyl-4-N-ethylquinazoline-4,7-diamine
CID 65336807
6-methoxy-2-N-(4-methoxyphenyl)-2-N-methylpyridine-2,3-diamine
CID 115320673

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine (CID 65337366) is 4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine is COc1ccc(N(C)c2ncnc3cc(N)ccc23)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine?
The InChIKey is MQGAOZBGKYIWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20(12-4-6-13(21-2)7-5-12)16-14-8-3-11(17)9-15(14)18-10-19-16/h3-10H,17H2,1-2H3.
What are the key properties of 4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine?
4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine has a molecular weight of 280.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine is sourced from PubChem (CID 65337366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).