7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline

C19H16ClNO — CID 18284055

IUPAC7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline
SMILESCOc1ccc(/C=C/c2ccc3ccc(Cl)cc3n2)cc1C
InChIInChI=1S/C19H16ClNO/c1-13-11-14(4-10-19(13)22-2)3-8-17-9-6-15-5-7-16(20)12-18(15)21-17/h3-12H,1-2H3/b8-3+
InChIKeyIQBPAXFQVYAPTJ-FPYGCLRLSA-N
MW309.80 g/mol
LogP5.38
Rot. Bonds3

About 7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline

7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline (PubChem CID 18284055) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is 7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline.

Molecular Properties

Compound Name7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline
PubChem CID18284055
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC Name7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline
SMILESCOc1ccc(/C=C/c2ccc3ccc(Cl)cc3n2)cc1C
InChIInChI=1S/C19H16ClNO/c1-13-11-14(4-10-19(13)22-2)3-8-17-9-6-15-5-7-16(20)12-18(15)21-17/h3-12H,1-2H3/b8-3+
InChIKeyIQBPAXFQVYAPTJ-FPYGCLRLSA-N
XLogP5.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.80
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline?
The IUPAC name of 7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline (CID 18284055) is 7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline.
What is the SMILES notation for 7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline?
The canonical SMILES for 7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline is COc1ccc(/C=C/c2ccc3ccc(Cl)cc3n2)cc1C.
What is the InChIKey of 7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline?
The InChIKey is IQBPAXFQVYAPTJ-FPYGCLRLSA-N. The full InChI is InChI=1S/C19H16ClNO/c1-13-11-14(4-10-19(13)22-2)3-8-17-9-6-15-5-7-16(20)12-18(15)21-17/h3-12H,1-2H3/b8-3+.
What are the key properties of 7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline?
7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline has a molecular weight of 309.80 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline is sourced from PubChem (CID 18284055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).