N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide

C24H20N4O3 — CID 135955287

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide
SMILESCC(C(=O)N/N=C/c1ccc(O)cc1)n1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C24H20N4O3/c1-16(23(30)27-25-15-17-11-13-19(29)14-12-17)28-22(18-7-3-2-4-8-18)26-21-10-6-5-9-20(21)24(28)31/h2-16,29H,1H3,(H,27,30)/b25-15+
InChIKeyUZIMVZPPCRAXGC-MFKUBSTISA-N
MW412.45 g/mol
LogP3.48
Rot. Bonds5

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide (PubChem CID 135955287) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide
PubChem CID135955287
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide
SMILESCC(C(=O)N/N=C/c1ccc(O)cc1)n1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C24H20N4O3/c1-16(23(30)27-25-15-17-11-13-19(29)14-12-17)28-22(18-7-3-2-4-8-18)26-21-10-6-5-9-20(21)24(28)31/h2-16,29H,1H3,(H,27,30)/b25-15+
InChIKeyUZIMVZPPCRAXGC-MFKUBSTISA-N
XLogP3.48
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one
CID 135519203
(2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenoxypropanamide
CID 135603975
[4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] acetate
CID 126405316
benzyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propanoate
CID 23937732
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 39818274
N-[(E)-(4-methylphenyl)methylideneamino]-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 6879259
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 136689616
3-[[4-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126411172
benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
CID 23878226
2-(benzotriazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 5112556
ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
CID 23762682

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide (CID 135955287) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide is CC(C(=O)N/N=C/c1ccc(O)cc1)n1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide?
The InChIKey is UZIMVZPPCRAXGC-MFKUBSTISA-N. The full InChI is InChI=1S/C24H20N4O3/c1-16(23(30)27-25-15-17-11-13-19(29)14-12-17)28-22(18-7-3-2-4-8-18)26-21-10-6-5-9-20(21)24(28)31/h2-16,29H,1H3,(H,27,30)/b25-15+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide has a molecular weight of 412.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide is sourced from PubChem (CID 135955287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).