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

C16H11BrN2O2 — CID 135514039

IUPAC2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C=C/c2cc(Br)ccc2O)nc2ccccc12
InChIInChI=1S/C16H11BrN2O2/c17-11-6-7-14(20)10(9-11)5-8-15-18-13-4-2-1-3-12(13)16(21)19-15/h1-9,20H,(H,18,19,21)/b8-5+
InChIKeyDCKGDPBQJCLLFT-VMPITWQZSA-N
MW343.18 g/mol
LogP3.56
Rot. Bonds2

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

2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135514039) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135514039
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Name2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C=C/c2cc(Br)ccc2O)nc2ccccc12
InChIInChI=1S/C16H11BrN2O2/c17-11-6-7-14(20)10(9-11)5-8-15-18-13-4-2-1-3-12(13)16(21)19-15/h1-9,20H,(H,18,19,21)/b8-5+
InChIKeyDCKGDPBQJCLLFT-VMPITWQZSA-N
XLogP3.56
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135681127
2-(2-acridin-9-ylethenyl)-4-bromophenol
CID 3103972
2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one
CID 135471735
2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one
CID 137193134
2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one
CID 136861073
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135676942
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-quinazolin-4-one
CID 136721364
4-bromo-2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]phenol
CID 23471173
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 135615878
methyl (E)-3-(4-oxo-3H-quinazolin-2-yl)prop-2-enoate
CID 136732083
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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one (CID 135514039) is 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one is O=c1[nH]c(/C=C/c2cc(Br)ccc2O)nc2ccccc12.
What is the InChIKey of 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is DCKGDPBQJCLLFT-VMPITWQZSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c17-11-6-7-14(20)10(9-11)5-8-15-18-13-4-2-1-3-12(13)16(21)19-15/h1-9,20H,(H,18,19,21)/b8-5+.
What are the key properties of 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one?
2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 343.18 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135514039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).