2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one

C25H25N3O — CID 3997986

IUPAC2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one
SMILESCc1ccc(C)c(-n2c(C(C)NCc3ccccc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H25N3O/c1-17-13-14-18(2)23(15-17)28-24(19(3)26-16-20-9-5-4-6-10-20)27-22-12-8-7-11-21(22)25(28)29/h4-15,19,26H,16H2,1-3H3
InChIKeyRERVXAZFNOVNAE-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.85
Rot. Bonds5

About 2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one

2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one (PubChem CID 3997986) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one
PubChem CID3997986
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one
SMILESCc1ccc(C)c(-n2c(C(C)NCc3ccccc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H25N3O/c1-17-13-14-18(2)23(15-17)28-24(19(3)26-16-20-9-5-4-6-10-20)27-22-12-8-7-11-21(22)25(28)29/h4-15,19,26H,16H2,1-3H3
InChIKeyRERVXAZFNOVNAE-UHFFFAOYSA-N
XLogP4.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(butylamino)ethyl]-3-(2-methylphenyl)quinazolin-4-one
CID 3634718
2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one
CID 4266946
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)butanamide
CID 42720700
3-tert-butyl-1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
CID 42720657
1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-1-(2-phenylethyl)urea
CID 42720705
2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one
CID 769672
N-butyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42720622
3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one
CID 42711270
benzyl-[(1R)-1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azanium
CID 7326981
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N,2,2-trimethylpropanamide
CID 42720205
N-benzyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42720540
1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-methylphenyl)-1-propylurea
CID 3540139

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one?
The IUPAC name of 2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one (CID 3997986) is 2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one is Cc1ccc(C)c(-n2c(C(C)NCc3ccccc3)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one?
The InChIKey is RERVXAZFNOVNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-17-13-14-18(2)23(15-17)28-24(19(3)26-16-20-9-5-4-6-10-20)27-22-12-8-7-11-21(22)25(28)29/h4-15,19,26H,16H2,1-3H3.
What are the key properties of 2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one?
2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one has a molecular weight of 383.50 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzylamino)ethyl]-3-(2,5-dimethylphenyl)quinazolin-4-one is sourced from PubChem (CID 3997986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).