N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine

C14H14N4O — CID 74425280

IUPACN-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine
SMILESNc1ncc2c(n1)CC(c1ccccc1)CC2=NO
InChIInChI=1S/C14H14N4O/c15-14-16-8-11-12(17-14)6-10(7-13(11)18-19)9-4-2-1-3-5-9/h1-5,8,10,19H,6-7H2,(H2,15,16,17)
InChIKeyGHGOUZISPNLJFN-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.97
Rot. Bonds1

About N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine

N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine (PubChem CID 74425280) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine
PubChem CID74425280
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine
SMILESNc1ncc2c(n1)CC(c1ccccc1)CC2=NO
InChIInChI=1S/C14H14N4O/c15-14-16-8-11-12(17-14)6-10(7-13(11)18-19)9-4-2-1-3-5-9/h1-5,8,10,19H,6-7H2,(H2,15,16,17)
InChIKeyGHGOUZISPNLJFN-UHFFFAOYSA-N
XLogP1.97
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.97
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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine?
The IUPAC name of N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine (CID 74425280) is N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine.
What is the SMILES notation for N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine?
The canonical SMILES for N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine is Nc1ncc2c(n1)CC(c1ccccc1)CC2=NO.
What is the InChIKey of N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine?
The InChIKey is GHGOUZISPNLJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-14-16-8-11-12(17-14)6-10(7-13(11)18-19)9-4-2-1-3-5-9/h1-5,8,10,19H,6-7H2,(H2,15,16,17).
What are the key properties of N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine?
N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine has a molecular weight of 254.29 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine is sourced from PubChem (CID 74425280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).