(5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine

C16H17FN4O — CID 25167747

IUPAC(5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
SMILESCO/N=C1\CC(c2ccccc2F)Cc2nc(N)nc(C)c21
InChIInChI=1S/C16H17FN4O/c1-9-15-13(20-16(18)19-9)7-10(8-14(15)21-22-2)11-5-3-4-6-12(11)17/h3-6,10H,7-8H2,1-2H3,(H2,18,19,20)/b21-14+
InChIKeyBNCXKNWCODZGON-KGENOOAVSA-N
MW300.34 g/mol
LogP2.59
Rot. Bonds2

About (5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine

(5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine (PubChem CID 25167747) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is (5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine.

Molecular Properties

Compound Name(5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
PubChem CID25167747
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name(5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
SMILESCO/N=C1\CC(c2ccccc2F)Cc2nc(N)nc(C)c21
InChIInChI=1S/C16H17FN4O/c1-9-15-13(20-16(18)19-9)7-10(8-14(15)21-22-2)11-5-3-4-6-12(11)17/h3-6,10H,7-8H2,1-2H3,(H2,18,19,20)/b21-14+
InChIKeyBNCXKNWCODZGON-KGENOOAVSA-N
XLogP2.59
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-[2-amino-7-(2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87291152
(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)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine
CID 58269353
N-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 76750894
7-(2-fluorophenyl)-5-(methoxyiminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 174596627
N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 76750889
5-[3-(dimethylamino)propoxyimino]-7-(3-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
CID 87549235
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-[[[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
(NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87291180
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
(2S)-3-[[(7R)-2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]amino]oxypropane-1,2-diol
CID 91243407

Frequently Asked Questions

What is the IUPAC name of (5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine?
The IUPAC name of (5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine (CID 25167747) is (5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine.
What is the SMILES notation for (5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine?
The canonical SMILES for (5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine is CO/N=C1\CC(c2ccccc2F)Cc2nc(N)nc(C)c21.
What is the InChIKey of (5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine?
The InChIKey is BNCXKNWCODZGON-KGENOOAVSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-9-15-13(20-16(18)19-9)7-10(8-14(15)21-22-2)11-5-3-4-6-12(11)17/h3-6,10H,7-8H2,1-2H3,(H2,18,19,20)/b21-14+.
What are the key properties of (5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine?
(5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine has a molecular weight of 300.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine is sourced from PubChem (CID 25167747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).