4-chloro-2-[(E)-2-phenylethenyl]quinazoline

C16H11ClN2 — CID 10084305

IUPAC4-chloro-2-[(E)-2-phenylethenyl]quinazoline
SMILESClc1nc(/C=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H11ClN2/c17-16-13-8-4-5-9-14(13)18-15(19-16)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+
InChIKeyWFEPOTSBXBRLNJ-ZHACJKMWSA-N
MW266.73 g/mol
LogP4.45
Rot. Bonds2

About 4-chloro-2-[(E)-2-phenylethenyl]quinazoline

4-chloro-2-[(E)-2-phenylethenyl]quinazoline (PubChem CID 10084305) has the molecular formula C16H11ClN2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-chloro-2-[(E)-2-phenylethenyl]quinazoline.

Molecular Properties

Compound Name4-chloro-2-[(E)-2-phenylethenyl]quinazoline
PubChem CID10084305
Molecular FormulaC16H11ClN2
Molecular Weight266.73 g/mol
Exact Mass266.06
IUPAC Name4-chloro-2-[(E)-2-phenylethenyl]quinazoline
SMILESClc1nc(/C=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H11ClN2/c17-16-13-8-4-5-9-14(13)18-15(19-16)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+
InChIKeyWFEPOTSBXBRLNJ-ZHACJKMWSA-N
XLogP4.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-2-phenylethenyl]quinazoline?
The IUPAC name of 4-chloro-2-[(E)-2-phenylethenyl]quinazoline (CID 10084305) is 4-chloro-2-[(E)-2-phenylethenyl]quinazoline.
What is the SMILES notation for 4-chloro-2-[(E)-2-phenylethenyl]quinazoline?
The canonical SMILES for 4-chloro-2-[(E)-2-phenylethenyl]quinazoline is Clc1nc(/C=C/c2ccccc2)nc2ccccc12.
What is the InChIKey of 4-chloro-2-[(E)-2-phenylethenyl]quinazoline?
The InChIKey is WFEPOTSBXBRLNJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H11ClN2/c17-16-13-8-4-5-9-14(13)18-15(19-16)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+.
What are the key properties of 4-chloro-2-[(E)-2-phenylethenyl]quinazoline?
4-chloro-2-[(E)-2-phenylethenyl]quinazoline has a molecular weight of 266.73 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-2-phenylethenyl]quinazoline is sourced from PubChem (CID 10084305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).