2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one

C17H14Br2N2O2 — CID 168552568

IUPAC2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one
SMILESCCCOc1c(Br)cc(Br)cc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H14Br2N2O2/c1-2-7-23-15-12(8-10(18)9-13(15)19)16-20-14-6-4-3-5-11(14)17(22)21-16/h3-6,8-9H,2,7H2,1H3,(H,20,21,22)
InChIKeyXXYDGJUAPRBBQX-UHFFFAOYSA-N
MW438.12 g/mol
LogP4.90
Rot. Bonds4

About 2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one

2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one (PubChem CID 168552568) has the molecular formula C17H14Br2N2O2 and a molecular weight of 438.12 g/mol. Its IUPAC name is 2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one
PubChem CID168552568
Molecular FormulaC17H14Br2N2O2
Molecular Weight438.12 g/mol
Exact Mass435.94
IUPAC Name2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one
SMILESCCCOc1c(Br)cc(Br)cc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H14Br2N2O2/c1-2-7-23-15-12(8-10(18)9-13(15)19)16-20-14-6-4-3-5-11(14)17(22)21-16/h3-6,8-9H,2,7H2,1H3,(H,20,21,22)
InChIKeyXXYDGJUAPRBBQX-UHFFFAOYSA-N
XLogP4.90
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.12
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dibromo-2-hydroxyphenyl)-3H-quinazolin-4-one
CID 135579414
2-(5-bromo-3-iodo-2-prop-2-enoxyphenyl)-3H-quinazolin-4-one
CID 168552575
2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168552065
2-(3-chloro-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551941
2-[3,5-difluoro-2-(3-methylbutoxy)phenyl]-3H-quinazolin-4-one
CID 168551082
[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] acetate
CID 168551579
2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
CID 168553022
2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135681127
2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one
CID 168550701
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551953
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one (CID 168552568) is 2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one is CCCOc1c(Br)cc(Br)cc1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is XXYDGJUAPRBBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2N2O2/c1-2-7-23-15-12(8-10(18)9-13(15)19)16-20-14-6-4-3-5-11(14)17(22)21-16/h3-6,8-9H,2,7H2,1H3,(H,20,21,22).
What are the key properties of 2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one?
2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 438.12 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168552568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).