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

C23H24N4O — CID 58269353

IUPAC(5E)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine
SMILESCCO/N=C1\CC(c2ccccc2-c2ccccc2)Cc2nc(N)nc(C)c21
InChIInChI=1S/C23H24N4O/c1-3-28-27-21-14-17(13-20-22(21)15(2)25-23(24)26-20)19-12-8-7-11-18(19)16-9-5-4-6-10-16/h4-12,17H,3,13-14H2,1-2H3,(H2,24,25,26)/b27-21+
InChIKeyHHERMSKVTREVNY-SZXQPVLSSA-N
MW372.47 g/mol
LogP4.50
Rot. Bonds4

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

(5E)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine (PubChem CID 58269353) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is (5E)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine.

Molecular Properties

Compound Name(5E)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine
PubChem CID58269353
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(5E)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine
SMILESCCO/N=C1\CC(c2ccccc2-c2ccccc2)Cc2nc(N)nc(C)c21
InChIInChI=1S/C23H24N4O/c1-3-28-27-21-14-17(13-20-22(21)15(2)25-23(24)26-20)19-12-8-7-11-18(19)16-9-5-4-6-10-16/h4-12,17H,3,13-14H2,1-2H3,(H2,24,25,26)/b27-21+
InChIKeyHHERMSKVTREVNY-SZXQPVLSSA-N
XLogP4.50
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.50
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'}

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Related Compounds

N-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 76750894
N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 76750889
(5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
CID 25167747
(NZ)-N-[2-amino-7-(2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87291152
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
(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
5-[3-(dimethylamino)propoxyimino]-7-(3-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
CID 87549235
(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
2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69454639
2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 71210204
(5E)-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-5-[[(3R)-pyrrolidin-3-yl]methoxyimino]-7,8-dihydro-6H-quinazolin-2-amine
CID 71558410

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine?
The IUPAC name of (5E)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine (CID 58269353) is (5E)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine.
What is the SMILES notation for (5E)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine?
The canonical SMILES for (5E)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine is CCO/N=C1\CC(c2ccccc2-c2ccccc2)Cc2nc(N)nc(C)c21.
What is the InChIKey of (5E)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine?
The InChIKey is HHERMSKVTREVNY-SZXQPVLSSA-N. The full InChI is InChI=1S/C23H24N4O/c1-3-28-27-21-14-17(13-20-22(21)15(2)25-23(24)26-20)19-12-8-7-11-18(19)16-9-5-4-6-10-16/h4-12,17H,3,13-14H2,1-2H3,(H2,24,25,26)/b27-21+.
What are the key properties of (5E)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine?
(5E)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine has a molecular weight of 372.47 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine is sourced from PubChem (CID 58269353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).