2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one

C24H23BrN2O2 — CID 176687519

IUPAC2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCc1ccc(N2C(=O)c3ccccc3NC2c2cccc(Br)c2OC)cc1
InChIInChI=1S/C24H23BrN2O2/c1-3-7-16-12-14-17(15-13-16)27-23(19-9-6-10-20(25)22(19)29-2)26-21-11-5-4-8-18(21)24(27)28/h4-6,8-15,23,26H,3,7H2,1-2H3
InChIKeyNIRSBSLUAGBDNA-UHFFFAOYSA-N
MW451.36 g/mol
LogP6.18
Rot. Bonds5

About 2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one

2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 176687519) has the molecular formula C24H23BrN2O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is 2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID176687519
Molecular FormulaC24H23BrN2O2
Molecular Weight451.36 g/mol
Exact Mass450.09
IUPAC Name2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCc1ccc(N2C(=O)c3ccccc3NC2c2cccc(Br)c2OC)cc1
InChIInChI=1S/C24H23BrN2O2/c1-3-7-16-12-14-17(15-13-16)27-23(19-9-6-10-20(25)22(19)29-2)26-21-11-5-4-8-18(21)24(27)28/h4-6,8-15,23,26H,3,7H2,1-2H3
InChIKeyNIRSBSLUAGBDNA-UHFFFAOYSA-N
XLogP6.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687508
3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 176687363
(2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one
CID 2253283
2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687571
(2S)-3-(4-methylphenyl)-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007422
2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one
CID 72793340
2-(5-bromo-2,4-dimethoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 3159958
2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2901716
(2S)-2-(2-bromophenyl)-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009305
3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 4113412
(2R)-2-[4-[(4-bromophenyl)methoxy]phenyl]-3-(4-butylphenyl)-1,2-dihydroquinazolin-4-one
CID 124529838
(2S)-2-(2,3-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009187

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one (CID 176687519) is 2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one is CCCc1ccc(N2C(=O)c3ccccc3NC2c2cccc(Br)c2OC)cc1.
What is the InChIKey of 2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is NIRSBSLUAGBDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O2/c1-3-7-16-12-14-17(15-13-16)27-23(19-9-6-10-20(25)22(19)29-2)26-21-11-5-4-8-18(21)24(27)28/h4-6,8-15,23,26H,3,7H2,1-2H3.
What are the key properties of 2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one?
2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 451.36 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methoxyphenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 176687519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).