N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine

C16H18N4O — CID 174596625

IUPACN-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine
SMILESCc1ccc(C2Cc3nc(N)ncc3C(C=NO)C2)cc1
InChIInChI=1S/C16H18N4O/c1-10-2-4-11(5-3-10)12-6-13(8-19-21)14-9-18-16(17)20-15(14)7-12/h2-5,8-9,12-13,21H,6-7H2,1H3,(H2,17,18,20)
InChIKeyVTFYLRQRVUBZCC-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.64
Rot. Bonds2

About N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine

N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine (PubChem CID 174596625) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine
PubChem CID174596625
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine
SMILESCc1ccc(C2Cc3nc(N)ncc3C(C=NO)C2)cc1
InChIInChI=1S/C16H18N4O/c1-10-2-4-11(5-3-10)12-6-13(8-19-21)14-9-18-16(17)20-15(14)7-12/h2-5,8-9,12-13,21H,6-7H2,1H3,(H2,17,18,20)
InChIKeyVTFYLRQRVUBZCC-UHFFFAOYSA-N
XLogP2.64
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.64
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

7-(4-chlorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 174596613
7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 174611924
N-[[2-amino-7-(2-pyridin-4-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine
CID 174596727
N-[(2-amino-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)methylidene]hydroxylamine
CID 174707618
N-[2-amino-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87290990
(NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 25167617
N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine
CID 74425280
5-N-methoxy-7-(4-methylphenyl)-7,8-dihydroquinazoline-2,5-diamine
CID 91140524
(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 738767
4,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-5-amine
CID 146095329
5-nitroso-7-(2-pyridin-3-ylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 123745682
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478

Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine (CID 174596625) is N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine is Cc1ccc(C2Cc3nc(N)ncc3C(C=NO)C2)cc1.
What is the InChIKey of N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine?
The InChIKey is VTFYLRQRVUBZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-2-4-11(5-3-10)12-6-13(8-19-21)14-9-18-16(17)20-15(14)7-12/h2-5,8-9,12-13,21H,6-7H2,1H3,(H2,17,18,20).
What are the key properties of N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine?
N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine has a molecular weight of 282.35 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-7-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-yl]methylidene]hydroxylamine is sourced from PubChem (CID 174596625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).