2-(4-bromophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one

C20H24BrN3O — CID 2888798

IUPAC2-(4-bromophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one
SMILESCCN(CC)CCN1C(=O)c2ccccc2NC1c1ccc(Br)cc1
InChIInChI=1S/C20H24BrN3O/c1-3-23(4-2)13-14-24-19(15-9-11-16(21)12-10-15)22-18-8-6-5-7-17(18)20(24)25/h5-12,19,22H,3-4,13-14H2,1-2H3
InChIKeyBCRKWGHGOSJYJB-UHFFFAOYSA-N
MW402.34 g/mol
LogP4.36
Rot. Bonds6

About 2-(4-bromophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one

2-(4-bromophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one (PubChem CID 2888798) has the molecular formula C20H24BrN3O and a molecular weight of 402.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one
PubChem CID2888798
Molecular FormulaC20H24BrN3O
Molecular Weight402.34 g/mol
Exact Mass401.11
IUPAC Name2-(4-bromophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one
SMILESCCN(CC)CCN1C(=O)c2ccccc2NC1c1ccc(Br)cc1
InChIInChI=1S/C20H24BrN3O/c1-3-23(4-2)13-14-24-19(15-9-11-16(21)12-10-15)22-18-8-6-5-7-17(18)20(24)25/h5-12,19,22H,3-4,13-14H2,1-2H3
InChIKeyBCRKWGHGOSJYJB-UHFFFAOYSA-N
XLogP4.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-bromophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one (CID 2888798) is 2-(4-bromophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one is CCN(CC)CCN1C(=O)c2ccccc2NC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is BCRKWGHGOSJYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O/c1-3-23(4-2)13-14-24-19(15-9-11-16(21)12-10-15)22-18-8-6-5-7-17(18)20(24)25/h5-12,19,22H,3-4,13-14H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one?
2-(4-bromophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 402.34 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2888798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).