2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one

C18H17N3O3 — CID 136721174

IUPAC2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1/N=C\c1cc(OC)ccc1O
InChIInChI=1S/C18H17N3O3/c1-3-17-20-15-7-5-4-6-14(15)18(23)21(17)19-11-12-10-13(24-2)8-9-16(12)22/h4-11,22H,3H2,1-2H3/b19-11-
InChIKeyWKYYMBCZNRZXFW-ODLFYWEKSA-N
MW323.35 g/mol
LogP2.56
Rot. Bonds4

About 2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one

2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one (PubChem CID 136721174) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one
PubChem CID136721174
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1/N=C\c1cc(OC)ccc1O
InChIInChI=1S/C18H17N3O3/c1-3-17-20-15-7-5-4-6-14(15)18(23)21(17)19-11-12-10-13(24-2)8-9-16(12)22/h4-11,22H,3H2,1-2H3/b19-11-
InChIKeyWKYYMBCZNRZXFW-ODLFYWEKSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 135549874
3-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(phenoxymethyl)quinazolin-4-one
CID 136877458
3-[(E)-(4-methoxyphenyl)methylideneamino]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
CID 166593604
3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one
CID 135650599
6-bromo-2-ethyl-3-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one
CID 126292473
3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one
CID 936802
2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one
CID 1387491
6-bromo-2-ethyl-3-[(2-prop-2-enoxyphenyl)methylideneamino]quinazolin-4-one
CID 126306350
6-bromo-2-ethyl-3-[(4-prop-2-enoxyphenyl)methylideneamino]quinazolin-4-one
CID 126310407
3-[(3,4-dihydroxyphenyl)methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 1388574
6-bromo-2-ethyl-3-[(3-methoxy-2-propan-2-yloxyphenyl)methylideneamino]quinazolin-4-one
CID 126287558
6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one
CID 126287570

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one (CID 136721174) is 2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one is CCc1nc2ccccc2c(=O)n1/N=C\c1cc(OC)ccc1O.
What is the InChIKey of 2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one?
The InChIKey is WKYYMBCZNRZXFW-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-17-20-15-7-5-4-6-14(15)18(23)21(17)19-11-12-10-13(24-2)8-9-16(12)22/h4-11,22H,3H2,1-2H3/b19-11-.
What are the key properties of 2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one?
2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one has a molecular weight of 323.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 136721174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).