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

C15H16N4O — CID 87290990

IUPACN-[2-amino-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
SMILESCc1ccc(C2CC(=NO)c3cnc(N)nc3C2)cc1
InChIInChI=1S/C15H16N4O/c1-9-2-4-10(5-3-9)11-6-13-12(14(7-11)19-20)8-17-15(16)18-13/h2-5,8,11,20H,6-7H2,1H3,(H2,16,17,18)
InChIKeyHVKMZVZQNISRRZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.28
Rot. Bonds1

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

N-[2-amino-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine (PubChem CID 87290990) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[2-amino-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-amino-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
PubChem CID87290990
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[2-amino-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
SMILESCc1ccc(C2CC(=NO)c3cnc(N)nc3C2)cc1
InChIInChI=1S/C15H16N4O/c1-9-2-4-10(5-3-9)11-6-13-12(14(7-11)19-20)8-17-15(16)18-13/h2-5,8,11,20H,6-7H2,1H3,(H2,16,17,18)
InChIKeyHVKMZVZQNISRRZ-UHFFFAOYSA-N
XLogP2.28
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.28
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-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The IUPAC name of N-[2-amino-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine (CID 87290990) is N-[2-amino-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine.
What is the SMILES notation for N-[2-amino-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The canonical SMILES for N-[2-amino-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine is Cc1ccc(C2CC(=NO)c3cnc(N)nc3C2)cc1.
What is the InChIKey of N-[2-amino-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The InChIKey is HVKMZVZQNISRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-2-4-10(5-3-9)11-6-13-12(14(7-11)19-20)8-17-15(16)18-13/h2-5,8,11,20H,6-7H2,1H3,(H2,16,17,18).
What are the key properties of N-[2-amino-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
N-[2-amino-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine has a molecular weight of 268.32 g/mol, XLogP of 2.28, 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-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine is sourced from PubChem (CID 87290990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).