2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one

C23H19N3O3 — CID 1049564

IUPAC2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one
SMILESCOc1cccc(C=Nn2c(-c3cccc(OC)c3)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H19N3O3/c1-28-18-9-5-7-16(13-18)15-24-26-22(17-8-6-10-19(14-17)29-2)25-21-12-4-3-11-20(21)23(26)27/h3-15H,1-2H3
InChIKeyDHCPPIWBJNTMTQ-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.96
Rot. Bonds5

About 2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one

2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one (PubChem CID 1049564) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one
PubChem CID1049564
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one
SMILESCOc1cccc(C=Nn2c(-c3cccc(OC)c3)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H19N3O3/c1-28-18-9-5-7-16(13-18)15-24-26-22(17-8-6-10-19(14-17)29-2)25-21-12-4-3-11-20(21)23(26)27/h3-15H,1-2H3
InChIKeyDHCPPIWBJNTMTQ-UHFFFAOYSA-N
XLogP3.96
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2593639
2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one
CID 6859761
2-(5-chloro-1-benzofuran-2-yl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 126302330
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135770164
3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2643412
3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 67601435
3-[[3-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126282482
3-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 136904665
3-[(3-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126288477
3-[[3-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126409506
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one
CID 4611421

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one (CID 1049564) is 2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one is COc1cccc(C=Nn2c(-c3cccc(OC)c3)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one?
The InChIKey is DHCPPIWBJNTMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-28-18-9-5-7-16(13-18)15-24-26-22(17-8-6-10-19(14-17)29-2)25-21-12-4-3-11-20(21)23(26)27/h3-15H,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one?
2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one has a molecular weight of 385.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 1049564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).