4-chloro-6-methoxy-7-[(2E)-2-methylpenta-2,4-dienoxy]quinoline

C16H16ClNO2 — CID 163641536

IUPAC4-chloro-6-methoxy-7-[(2E)-2-methylpenta-2,4-dienoxy]quinoline
SMILESC=C/C=C(\C)COc1cc2nccc(Cl)c2cc1OC
InChIInChI=1S/C16H16ClNO2/c1-4-5-11(2)10-20-16-9-14-12(8-15(16)19-3)13(17)6-7-18-14/h4-9H,1,10H2,2-3H3/b11-5+
InChIKeyIERHKRBARYJACD-VZUCSPMQSA-N
MW289.76 g/mol
LogP4.41
Rot. Bonds5

About 4-chloro-6-methoxy-7-[(2E)-2-methylpenta-2,4-dienoxy]quinoline

4-chloro-6-methoxy-7-[(2E)-2-methylpenta-2,4-dienoxy]quinoline (PubChem CID 163641536) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-chloro-6-methoxy-7-[(2E)-2-methylpenta-2,4-dienoxy]quinoline.

Molecular Properties

Compound Name4-chloro-6-methoxy-7-[(2E)-2-methylpenta-2,4-dienoxy]quinoline
PubChem CID163641536
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name4-chloro-6-methoxy-7-[(2E)-2-methylpenta-2,4-dienoxy]quinoline
SMILESC=C/C=C(\C)COc1cc2nccc(Cl)c2cc1OC
InChIInChI=1S/C16H16ClNO2/c1-4-5-11(2)10-20-16-9-14-12(8-15(16)19-3)13(17)6-7-18-14/h4-9H,1,10H2,2-3H3/b11-5+
InChIKeyIERHKRBARYJACD-VZUCSPMQSA-N
XLogP4.41
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-7-[(2E)-2-methylpenta-2,4-dienoxy]quinoline?
The IUPAC name of 4-chloro-6-methoxy-7-[(2E)-2-methylpenta-2,4-dienoxy]quinoline (CID 163641536) is 4-chloro-6-methoxy-7-[(2E)-2-methylpenta-2,4-dienoxy]quinoline.
What is the SMILES notation for 4-chloro-6-methoxy-7-[(2E)-2-methylpenta-2,4-dienoxy]quinoline?
The canonical SMILES for 4-chloro-6-methoxy-7-[(2E)-2-methylpenta-2,4-dienoxy]quinoline is C=C/C=C(\C)COc1cc2nccc(Cl)c2cc1OC.
What is the InChIKey of 4-chloro-6-methoxy-7-[(2E)-2-methylpenta-2,4-dienoxy]quinoline?
The InChIKey is IERHKRBARYJACD-VZUCSPMQSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-4-5-11(2)10-20-16-9-14-12(8-15(16)19-3)13(17)6-7-18-14/h4-9H,1,10H2,2-3H3/b11-5+.
What are the key properties of 4-chloro-6-methoxy-7-[(2E)-2-methylpenta-2,4-dienoxy]quinoline?
4-chloro-6-methoxy-7-[(2E)-2-methylpenta-2,4-dienoxy]quinoline has a molecular weight of 289.76 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-7-[(2E)-2-methylpenta-2,4-dienoxy]quinoline is sourced from PubChem (CID 163641536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).