4-chloro-2-(4-methoxyphenyl)quinoline

C16H12ClNO — CID 15481382

IUPAC4-chloro-2-(4-methoxyphenyl)quinoline
SMILESCOc1ccc(-c2cc(Cl)c3ccccc3n2)cc1
InChIInChI=1S/C16H12ClNO/c1-19-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3
InChIKeyDLFBWXQGVIOCRY-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.56
Rot. Bonds2

About 4-chloro-2-(4-methoxyphenyl)quinoline

4-chloro-2-(4-methoxyphenyl)quinoline (PubChem CID 15481382) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-2-(4-methoxyphenyl)quinoline.

Molecular Properties

Compound Name4-chloro-2-(4-methoxyphenyl)quinoline
PubChem CID15481382
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name4-chloro-2-(4-methoxyphenyl)quinoline
SMILESCOc1ccc(-c2cc(Cl)c3ccccc3n2)cc1
InChIInChI=1S/C16H12ClNO/c1-19-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3
InChIKeyDLFBWXQGVIOCRY-UHFFFAOYSA-N
XLogP4.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methoxyphenyl)quinoline?
The IUPAC name of 4-chloro-2-(4-methoxyphenyl)quinoline (CID 15481382) is 4-chloro-2-(4-methoxyphenyl)quinoline.
What is the SMILES notation for 4-chloro-2-(4-methoxyphenyl)quinoline?
The canonical SMILES for 4-chloro-2-(4-methoxyphenyl)quinoline is COc1ccc(-c2cc(Cl)c3ccccc3n2)cc1.
What is the InChIKey of 4-chloro-2-(4-methoxyphenyl)quinoline?
The InChIKey is DLFBWXQGVIOCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-19-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3.
What are the key properties of 4-chloro-2-(4-methoxyphenyl)quinoline?
4-chloro-2-(4-methoxyphenyl)quinoline has a molecular weight of 269.73 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methoxyphenyl)quinoline is sourced from PubChem (CID 15481382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).