3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one

C18H17N3O3 — CID 135576467

IUPAC3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCCOc1cc(/C=N/n2c(C)nc3ccccc3c2=O)ccc1O
InChIInChI=1S/C18H17N3O3/c1-3-24-17-10-13(8-9-16(17)22)11-19-21-12(2)20-15-7-5-4-6-14(15)18(21)23/h4-11,22H,3H2,1-2H3/b19-11+
InChIKeyGJCAUNCBIVLFBP-YBFXNURJSA-N
MW323.35 g/mol
LogP2.69
Rot. Bonds4

About 3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one

3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 135576467) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID135576467
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCCOc1cc(/C=N/n2c(C)nc3ccccc3c2=O)ccc1O
InChIInChI=1S/C18H17N3O3/c1-3-24-17-10-13(8-9-16(17)22)11-19-21-12(2)20-15-7-5-4-6-14(15)18(21)23/h4-11,22H,3H2,1-2H3/b19-11+
InChIKeyGJCAUNCBIVLFBP-YBFXNURJSA-N
XLogP2.69
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
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'}

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Related Compounds

Isaindigotone
CID 135433966
2-(3-hydroxy-4-methoxyphenyl)-3H-quinazolin-4-one
CID 136044076
2-(3-ethoxy-4-hydroxyphenyl)-3H-quinazolin-4-one
CID 136044078
2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4(3H)-one
CID 135464616
3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6894412
4(3H)-Quinazolinone, 3-(((4-methoxyphenyl)methylene)amino)-2-phenyl-
CID 9571030
2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135557878
3-[[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-methylquinazolin-4-one
CID 135676089
3-(3,4-Dimethoxy-benzylidene)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 5384829
2-(4-Hydroxy-3-methoxyphenyl)quinazolin-4 (3h)-one
CID 136632047
3-[(E)-(4-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6859245
3-[(2-hydroxy-3-methoxybenzyl)amino]-2-(3-methylphenyl)quinazolin-4(3H)-one
CID 3245030

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one (CID 135576467) is 3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one is CCOc1cc(/C=N/n2c(C)nc3ccccc3c2=O)ccc1O.
What is the InChIKey of 3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is GJCAUNCBIVLFBP-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-24-17-10-13(8-9-16(17)22)11-19-21-12(2)20-15-7-5-4-6-14(15)18(21)23/h4-11,22H,3H2,1-2H3/b19-11+.
What are the key properties of 3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 323.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 135576467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).