3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one

C17H15N3O3 — CID 135691281

IUPAC3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCOc1cc(/C=N/n2c(C)nc3ccccc3c2=O)ccc1O
InChIInChI=1S/C17H15N3O3/c1-11-19-14-6-4-3-5-13(14)17(22)20(11)18-10-12-7-8-15(21)16(9-12)23-2/h3-10,21H,1-2H3/b18-10+
InChIKeySRBIUYZVNZVDKP-VCHYOVAHSA-N
MW309.33 g/mol
LogP2.30
Rot. Bonds3

About 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one

3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 135691281) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID135691281
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCOc1cc(/C=N/n2c(C)nc3ccccc3c2=O)ccc1O
InChIInChI=1S/C17H15N3O3/c1-11-19-14-6-4-3-5-13(14)17(22)20(11)18-10-12-7-8-15(21)16(9-12)23-2/h3-10,21H,1-2H3/b18-10+
InChIKeySRBIUYZVNZVDKP-VCHYOVAHSA-N
XLogP2.30
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.30
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
2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one
CID 135484663
4(3H)-Quinazolinone, 3-(((4-methoxyphenyl)methylene)amino)-2-phenyl-
CID 9571030
3-{[(2-Hydroxyphenyl)methylidene]amino}-2-methyl-3,4-dihydroquinazolin-4-one
CID 135446665
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
2-[(E)-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-1H-quinazolin-4-one
CID 135681157
3-(3,4-Dimethoxy-benzylidene)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 5384829

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one (CID 135691281) is 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one is COc1cc(/C=N/n2c(C)nc3ccccc3c2=O)ccc1O.
What is the InChIKey of 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is SRBIUYZVNZVDKP-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-19-14-6-4-3-5-13(14)17(22)20(11)18-10-12-7-8-15(21)16(9-12)23-2/h3-10,21H,1-2H3/b18-10+.
What are the key properties of 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 309.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 135691281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).