(NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine

C15H15FN4O — CID 87291180

IUPAC(NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
SMILESCc1nc(N)nc2c1/C(=N\O)CC(c1cccc(F)c1)C2
InChIInChI=1S/C15H15FN4O/c1-8-14-12(19-15(17)18-8)6-10(7-13(14)20-21)9-3-2-4-11(16)5-9/h2-5,10,21H,6-7H2,1H3,(H2,17,18,19)/b20-13-
InChIKeyDIHMCYLHZLSLLI-MOSHPQCFSA-N
MW286.31 g/mol
LogP2.41
Rot. Bonds1

About (NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine

(NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine (PubChem CID 87291180) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is (NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
PubChem CID87291180
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name(NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
SMILESCc1nc(N)nc2c1/C(=N\O)CC(c1cccc(F)c1)C2
InChIInChI=1S/C15H15FN4O/c1-8-14-12(19-15(17)18-8)6-10(7-13(14)20-21)9-3-2-4-11(16)5-9/h2-5,10,21H,6-7H2,1H3,(H2,17,18,19)/b20-13-
InChIKeyDIHMCYLHZLSLLI-MOSHPQCFSA-N
XLogP2.41
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.41
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

2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 58269405
(NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 25167617
(NZ)-N-[2-amino-7-(2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87291152
(NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87290823
N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 76750889
2-[[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]guanidine
CID 68629309
(5E)-7-[4-fluoro-2-(2-fluoro-3-pyridinyl)phenyl]-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;(5E,7R)-7-[4-fluoro-2-(2-fluoro-3-pyridinyl)phenyl]-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine;(5E,7S)-7-[4-fluoro-2-(2-fluoro-3-pyridinyl)phenyl]-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
CID 172944541
(5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
CID 25167747
2-[[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxyacetic acid
CID 74943084
2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 71210200
2-[[[2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxymethyl]propane-1,3-diol
CID 74943170
7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-5-piperidin-4-yloxyimino-7,8-dihydro-6H-quinazolin-2-amine
CID 78111250

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine (CID 87291180) is (NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine is Cc1nc(N)nc2c1/C(=N\O)CC(c1cccc(F)c1)C2.
What is the InChIKey of (NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The InChIKey is DIHMCYLHZLSLLI-MOSHPQCFSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-8-14-12(19-15(17)18-8)6-10(7-13(14)20-21)9-3-2-4-11(16)5-9/h2-5,10,21H,6-7H2,1H3,(H2,17,18,19)/b20-13-.
What are the key properties of (NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
(NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine has a molecular weight of 286.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine is sourced from PubChem (CID 87291180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).