3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one

C25H24N4O — CID 2463847

IUPAC3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one
SMILESCCN(Cc1ccccc1)c1ccc(C=Nn2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H24N4O/c1-3-28(18-21-9-5-4-6-10-21)22-15-13-20(14-16-22)17-26-29-19(2)27-24-12-8-7-11-23(24)25(29)30/h4-17H,3,18H2,1-2H3
InChIKeyHKMAEQYPKPGTQO-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.61
Rot. Bonds6

About 3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one

3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one (PubChem CID 2463847) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one
PubChem CID2463847
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one
SMILESCCN(Cc1ccccc1)c1ccc(C=Nn2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H24N4O/c1-3-28(18-21-9-5-4-6-10-21)22-15-13-20(14-16-22)17-26-29-19(2)27-24-12-8-7-11-23(24)25(29)30/h4-17H,3,18H2,1-2H3
InChIKeyHKMAEQYPKPGTQO-UHFFFAOYSA-N
XLogP4.61
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one
CID 9239429
3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 52915607
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
3-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 5209778
2-(5-chloro-1-benzofuran-2-yl)-3-[[4-(diethylamino)phenyl]methylideneamino]quinazolin-4-one
CID 126308472
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
CID 5423325
3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2643412
N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine
CID 2394003
3-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2593639

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one (CID 2463847) is 3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one is CCN(Cc1ccccc1)c1ccc(C=Nn2c(C)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is HKMAEQYPKPGTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-3-28(18-21-9-5-4-6-10-21)22-15-13-20(14-16-22)17-26-29-19(2)27-24-12-8-7-11-23(24)25(29)30/h4-17H,3,18H2,1-2H3.
What are the key properties of 3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one?
3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 396.49 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 2463847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).