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

C21H20N4O — CID 76750894

IUPACN-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
SMILESCc1nc(N)nc2c1C(=NO)CC(c1ccccc1-c1ccccc1)C2
InChIInChI=1S/C21H20N4O/c1-13-20-18(24-21(22)23-13)11-15(12-19(20)25-26)17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-10,15,26H,11-12H2,1H3,(H2,22,23,24)
InChIKeyJDZCGCMWIGPWCW-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.94
Rot. Bonds2

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

N-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine (PubChem CID 76750894) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
PubChem CID76750894
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
SMILESCc1nc(N)nc2c1C(=NO)CC(c1ccccc1-c1ccccc1)C2
InChIInChI=1S/C21H20N4O/c1-13-20-18(24-21(22)23-13)11-15(12-19(20)25-26)17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-10,15,26H,11-12H2,1H3,(H2,22,23,24)
InChIKeyJDZCGCMWIGPWCW-UHFFFAOYSA-N
XLogP3.94
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.94
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

N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 76750889
(5E)-5-ethoxyimino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-2-amine
CID 58269353
(NZ)-N-[2-amino-7-(2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87291152
(NE)-N-[2-amino-4-methyl-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 25167617
(NZ)-N-[2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87291180
(5E)-7-(2-fluorophenyl)-5-methoxyimino-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
CID 25167747
(NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87290823
2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 71210204
2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
CID 71210258
2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 71210232
(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
2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 71210237

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The IUPAC name of N-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine (CID 76750894) is N-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine.
What is the SMILES notation for N-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The canonical SMILES for N-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine is Cc1nc(N)nc2c1C(=NO)CC(c1ccccc1-c1ccccc1)C2.
What is the InChIKey of N-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
The InChIKey is JDZCGCMWIGPWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-13-20-18(24-21(22)23-13)11-15(12-19(20)25-26)17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-10,15,26H,11-12H2,1H3,(H2,22,23,24).
What are the key properties of N-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine?
N-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine has a molecular weight of 344.42 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine is sourced from PubChem (CID 76750894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).