2-(4-bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one

C17H17BrN2O — CID 2887932

IUPAC2-(4-bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O/c1-2-11-20-16(12-7-9-13(18)10-8-12)19-15-6-4-3-5-14(15)17(20)21/h3-10,16,19H,2,11H2,1H3
InChIKeyIHTYUXMCBKVTBX-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.43
Rot. Bonds3

About 2-(4-bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one

2-(4-bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 2887932) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID2887932
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name2-(4-bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O/c1-2-11-20-16(12-7-9-13(18)10-8-12)19-15-6-4-3-5-14(15)17(20)21/h3-10,16,19H,2,11H2,1H3
InChIKeyIHTYUXMCBKVTBX-UHFFFAOYSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one (CID 2887932) is 2-(4-bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccccc2NC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is IHTYUXMCBKVTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-2-11-20-16(12-7-9-13(18)10-8-12)19-15-6-4-3-5-14(15)17(20)21/h3-10,16,19H,2,11H2,1H3.
What are the key properties of 2-(4-bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
2-(4-bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 345.24 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2887932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).