4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline

C17H13ClN2O — CID 46865092

IUPAC4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline
SMILESCOc1ccccc1/C=C/c1nc(Cl)c2ccccc2n1
InChIInChI=1S/C17H13ClN2O/c1-21-15-9-5-2-6-12(15)10-11-16-19-14-8-4-3-7-13(14)17(18)20-16/h2-11H,1H3/b11-10+
InChIKeyXHTKLMUXNJEALE-ZHACJKMWSA-N
MW296.76 g/mol
LogP4.46
Rot. Bonds3

About 4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline

4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline (PubChem CID 46865092) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline.

Molecular Properties

Compound Name4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline
PubChem CID46865092
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline
SMILESCOc1ccccc1/C=C/c1nc(Cl)c2ccccc2n1
InChIInChI=1S/C17H13ClN2O/c1-21-15-9-5-2-6-12(15)10-11-16-19-14-8-4-3-7-13(14)17(18)20-16/h2-11H,1H3/b11-10+
InChIKeyXHTKLMUXNJEALE-ZHACJKMWSA-N
XLogP4.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Verubulin
CID 11414799
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
2,4-Quinazolinediamine, 5-methoxy-
CID 213752
7-(2-Methoxyphenyl)quinazoline-2,4-Diamine
CID 53346505
5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
CID 24778299
4-Methoxy-2-(4-propoxyphenyl)quinazoline
CID 1612038
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
5-[(4-Methylbenzyl)oxy]quinazoline-2,4-diamine
CID 2824489
CID 2952997
CID 2952997
2,4-Diamino-5-(4-methylphenoxy)quinazoline
CID 4106338
2,4-Dicyclohexyl-6-methoxyquinazoline
CID 23640941

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline?
The IUPAC name of 4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline (CID 46865092) is 4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline.
What is the SMILES notation for 4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline?
The canonical SMILES for 4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline is COc1ccccc1/C=C/c1nc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline?
The InChIKey is XHTKLMUXNJEALE-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-21-15-9-5-2-6-12(15)10-11-16-19-14-8-4-3-7-13(14)17(18)20-16/h2-11H,1H3/b11-10+.
What are the key properties of 4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline?
4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline has a molecular weight of 296.76 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazoline is sourced from PubChem (CID 46865092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).