(NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine

C16H18N4O — CID 25167617

IUPAC(NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
SMILESCc1ccc(C2C/C(=N\O)c3c(C)nc(N)nc3C2)cc1
InChIInChI=1S/C16H18N4O/c1-9-3-5-11(6-4-9)12-7-13-15(14(8-12)20-21)10(2)18-16(17)19-13/h3-6,12,21H,7-8H2,1-2H3,(H2,17,18,19)/b20-14+
InChIKeyMNUVOMRRRXBAAX-XSFVSMFZSA-N
MW282.35 g/mol
LogP2.58
Rot. Bonds1

About (NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine

(NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine (PubChem CID 25167617) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
PubChem CID25167617
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
SMILESCc1ccc(C2C/C(=N\O)c3c(C)nc(N)nc3C2)cc1
InChIInChI=1S/C16H18N4O/c1-9-3-5-11(6-4-9)12-7-13-15(14(8-12)20-21)10(2)18-16(17)19-13/h3-6,12,21H,7-8H2,1-2H3,(H2,17,18,19)/b20-14+
InChIKeyMNUVOMRRRXBAAX-XSFVSMFZSA-N
XLogP2.58
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87291180
N-[2-amino-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87290990
(NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87290823
(NZ)-N-[2-amino-7-(2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87291152
N-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 76750894
N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 76750889
2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 11948703
N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine
CID 174596625
(5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
CID 25167747
N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine
CID 74425280
(NZ)-N-(3-methyl-6-phenyl-2,5,6,7-tetrahydroindazol-4-ylidene)hydroxylamine
CID 135923483
(5E)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine
CID 58269353

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine (CID 25167617) is (NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine is Cc1ccc(C2C/C(=N\O)c3c(C)nc(N)nc3C2)cc1.
What is the InChIKey of (NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The InChIKey is MNUVOMRRRXBAAX-XSFVSMFZSA-N. The full InChI is InChI=1S/C16H18N4O/c1-9-3-5-11(6-4-9)12-7-13-15(14(8-12)20-21)10(2)18-16(17)19-13/h3-6,12,21H,7-8H2,1-2H3,(H2,17,18,19)/b20-14+.
What are the key properties of (NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
(NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine has a molecular weight of 282.35 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine is sourced from PubChem (CID 25167617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).