5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine

C16H18N4O — CID 91140524

IUPAC5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine
SMILESCONC1=CC(c2ccc(C)cc2)Cc2nc(N)ncc21
InChIInChI=1S/C16H18N4O/c1-10-3-5-11(6-4-10)12-7-14-13(9-18-16(17)19-14)15(8-12)20-21-2/h3-6,8-9,12,20H,7H2,1-2H3,(H2,17,18,19)
InChIKeyMTFNGDIQOUSRDM-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.20
Rot. Bonds3

About 5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine

5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine (PubChem CID 91140524) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine.

Molecular Properties

Compound Name5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine
PubChem CID91140524
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine
SMILESCONC1=CC(c2ccc(C)cc2)Cc2nc(N)ncc21
InChIInChI=1S/C16H18N4O/c1-10-3-5-11(6-4-10)12-7-14-13(9-18-16(17)19-14)15(8-12)20-21-2/h3-6,8-9,12,20H,7H2,1-2H3,(H2,17,18,19)
InChIKeyMTFNGDIQOUSRDM-UHFFFAOYSA-N
XLogP2.20
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87290990
7-(4-fluorophenyl)-5-N-(2-morpholin-4-ylethoxy)-7,8-dihydroquinazoline-2,5-diamine
CID 90985438
N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine
CID 174596625
4-chloro-5-(4-methylphenyl)pyrimidin-2-amine
CID 117260801
(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 738767
(7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1415093
(NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 25167617
2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67239176
(7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 97183786
(7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 97183729
(7S)-7-(3,4-dimethoxyphenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41386634
N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine
CID 74425280

Frequently Asked Questions

What is the IUPAC name of 5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine?
The IUPAC name of 5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine (CID 91140524) is 5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine.
What is the SMILES notation for 5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine?
The canonical SMILES for 5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine is CONC1=CC(c2ccc(C)cc2)Cc2nc(N)ncc21.
What is the InChIKey of 5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine?
The InChIKey is MTFNGDIQOUSRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-3-5-11(6-4-10)12-7-14-13(9-18-16(17)19-14)15(8-12)20-21-2/h3-6,8-9,12,20H,7H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine?
5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine has a molecular weight of 282.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine is sourced from PubChem (CID 91140524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).