2-(4-bromophenyl)-3-butyl-6-methyl-6,7-dihydroquinazolin-4-one

C19H21BrN2O — CID 71072777

IUPAC2-(4-bromophenyl)-3-butyl-6-methyl-6,7-dihydroquinazolin-4-one
SMILESCCCCn1c(-c2ccc(Br)cc2)nc2c(c1=O)=CC(C)CC=2
InChIInChI=1S/C19H21BrN2O/c1-3-4-11-22-18(14-6-8-15(20)9-7-14)21-17-10-5-13(2)12-16(17)19(22)23/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyYFPZIRJLJSSXCT-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.07
Rot. Bonds4

About 2-(4-bromophenyl)-3-butyl-6-methyl-6,7-dihydroquinazolin-4-one

2-(4-bromophenyl)-3-butyl-6-methyl-6,7-dihydroquinazolin-4-one (PubChem CID 71072777) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-butyl-6-methyl-6,7-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-butyl-6-methyl-6,7-dihydroquinazolin-4-one
PubChem CID71072777
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name2-(4-bromophenyl)-3-butyl-6-methyl-6,7-dihydroquinazolin-4-one
SMILESCCCCn1c(-c2ccc(Br)cc2)nc2c(c1=O)=CC(C)CC=2
InChIInChI=1S/C19H21BrN2O/c1-3-4-11-22-18(14-6-8-15(20)9-7-14)21-17-10-5-13(2)12-16(17)19(22)23/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyYFPZIRJLJSSXCT-UHFFFAOYSA-N
XLogP3.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-butyl-6-methyl-6,7-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-bromophenyl)-3-butyl-6-methyl-6,7-dihydroquinazolin-4-one (CID 71072777) is 2-(4-bromophenyl)-3-butyl-6-methyl-6,7-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-3-butyl-6-methyl-6,7-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-3-butyl-6-methyl-6,7-dihydroquinazolin-4-one is CCCCn1c(-c2ccc(Br)cc2)nc2c(c1=O)=CC(C)CC=2.
What is the InChIKey of 2-(4-bromophenyl)-3-butyl-6-methyl-6,7-dihydroquinazolin-4-one?
The InChIKey is YFPZIRJLJSSXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c1-3-4-11-22-18(14-6-8-15(20)9-7-14)21-17-10-5-13(2)12-16(17)19(22)23/h6-10,12-13H,3-5,11H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-3-butyl-6-methyl-6,7-dihydroquinazolin-4-one?
2-(4-bromophenyl)-3-butyl-6-methyl-6,7-dihydroquinazolin-4-one has a molecular weight of 373.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-butyl-6-methyl-6,7-dihydroquinazolin-4-one is sourced from PubChem (CID 71072777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).