2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one

C19H17BrN2O2 — CID 135681127

IUPAC2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCCCOc1ccc(Br)cc1/C=C/c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H17BrN2O2/c1-2-11-24-17-9-8-14(20)12-13(17)7-10-18-21-16-6-4-3-5-15(16)19(23)22-18/h3-10,12H,2,11H2,1H3,(H,21,22,23)/b10-7+
InChIKeySQSFRFHHQRHEKM-JXMROGBWSA-N
MW385.26 g/mol
LogP4.64
Rot. Bonds5

About 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one

2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135681127) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135681127
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCCCOc1ccc(Br)cc1/C=C/c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H17BrN2O2/c1-2-11-24-17-9-8-14(20)12-13(17)7-10-18-21-16-6-4-3-5-15(16)19(23)22-18/h3-10,12H,2,11H2,1H3,(H,21,22,23)/b10-7+
InChIKeySQSFRFHHQRHEKM-JXMROGBWSA-N
XLogP4.64
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135514039
2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 7971530
2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one
CID 135471735
2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135413589
2-(3-chloro-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551941
2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one
CID 137193134
2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one
CID 168552568
2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one
CID 136861073
2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one
CID 135584613
2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135517947
3-(5-bromo-2-propoxyphenyl)prop-2-enal
CID 79330486
(Z)-3-(3-bromo-4-propoxyphenyl)-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 136781684

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one (CID 135681127) is 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one is CCCOc1ccc(Br)cc1/C=C/c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is SQSFRFHHQRHEKM-JXMROGBWSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-2-11-24-17-9-8-14(20)12-13(17)7-10-18-21-16-6-4-3-5-15(16)19(23)22-18/h3-10,12H,2,11H2,1H3,(H,21,22,23)/b10-7+.
What are the key properties of 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one?
2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 385.26 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135681127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).