2-chloro-3-(2-methoxyphenyl)quinoline

C16H12ClNO — CID 13200184

IUPAC2-chloro-3-(2-methoxyphenyl)quinoline
SMILESCOc1ccccc1-c1cc2ccccc2nc1Cl
InChIInChI=1S/C16H12ClNO/c1-19-15-9-5-3-7-12(15)13-10-11-6-2-4-8-14(11)18-16(13)17/h2-10H,1H3
InChIKeyUYXYYZGIJRDKJE-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.56
Rot. Bonds2

About 2-chloro-3-(2-methoxyphenyl)quinoline

2-chloro-3-(2-methoxyphenyl)quinoline (PubChem CID 13200184) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-3-(2-methoxyphenyl)quinoline.

Molecular Properties

Compound Name2-chloro-3-(2-methoxyphenyl)quinoline
PubChem CID13200184
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name2-chloro-3-(2-methoxyphenyl)quinoline
SMILESCOc1ccccc1-c1cc2ccccc2nc1Cl
InChIInChI=1S/C16H12ClNO/c1-19-15-9-5-3-7-12(15)13-10-11-6-2-4-8-14(11)18-16(13)17/h2-10H,1H3
InChIKeyUYXYYZGIJRDKJE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-methoxyphenyl)quinoline?
The IUPAC name of 2-chloro-3-(2-methoxyphenyl)quinoline (CID 13200184) is 2-chloro-3-(2-methoxyphenyl)quinoline.
What is the SMILES notation for 2-chloro-3-(2-methoxyphenyl)quinoline?
The canonical SMILES for 2-chloro-3-(2-methoxyphenyl)quinoline is COc1ccccc1-c1cc2ccccc2nc1Cl.
What is the InChIKey of 2-chloro-3-(2-methoxyphenyl)quinoline?
The InChIKey is UYXYYZGIJRDKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-19-15-9-5-3-7-12(15)13-10-11-6-2-4-8-14(11)18-16(13)17/h2-10H,1H3.
What are the key properties of 2-chloro-3-(2-methoxyphenyl)quinoline?
2-chloro-3-(2-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 2-chloro-3-(2-methoxyphenyl)quinoline is sourced from PubChem (CID 13200184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).