4-chloro-2-(4-methoxyphenyl)-3-(2-phenylethynyl)quinoline

C24H16ClNO — CID 139213820

IUPAC4-chloro-2-(4-methoxyphenyl)-3-(2-phenylethynyl)quinoline
SMILESCOc1ccc(-c2nc3ccccc3c(Cl)c2C#Cc2ccccc2)cc1
InChIInChI=1S/C24H16ClNO/c1-27-19-14-12-18(13-15-19)24-21(16-11-17-7-3-2-4-8-17)23(25)20-9-5-6-10-22(20)26-24/h2-10,12-15H,1H3
InChIKeyCYQGOXNBBOPSIE-UHFFFAOYSA-N
MW369.85 g/mol
LogP5.96
Rot. Bonds2

About 4-chloro-2-(4-methoxyphenyl)-3-(2-phenylethynyl)quinoline

4-chloro-2-(4-methoxyphenyl)-3-(2-phenylethynyl)quinoline (PubChem CID 139213820) has the molecular formula C24H16ClNO and a molecular weight of 369.85 g/mol. Its IUPAC name is 4-chloro-2-(4-methoxyphenyl)-3-(2-phenylethynyl)quinoline.

Molecular Properties

Compound Name4-chloro-2-(4-methoxyphenyl)-3-(2-phenylethynyl)quinoline
PubChem CID139213820
Molecular FormulaC24H16ClNO
Molecular Weight369.85 g/mol
Exact Mass369.09
IUPAC Name4-chloro-2-(4-methoxyphenyl)-3-(2-phenylethynyl)quinoline
SMILESCOc1ccc(-c2nc3ccccc3c(Cl)c2C#Cc2ccccc2)cc1
InChIInChI=1S/C24H16ClNO/c1-27-19-14-12-18(13-15-19)24-21(16-11-17-7-3-2-4-8-17)23(25)20-9-5-6-10-22(20)26-24/h2-10,12-15H,1H3
InChIKeyCYQGOXNBBOPSIE-UHFFFAOYSA-N
XLogP5.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-3,4-bis(2-phenylethynyl)quinoline
CID 139213790
2,6-bis(4-methoxyphenyl)-3,5-dimethyl-4-(2-phenylethynyl)pyridine
CID 2853967
2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride
CID 42918992
4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline
CID 139213784
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 95560580
1,4-dimethoxy-9,10-bis(2-phenylethynyl)anthracene
CID 71421350
1,5-dimethoxy-9,10-bis(2-phenylethynyl)anthracene
CID 71421348
4-chloro-3-iodo-2-(2-methoxyphenyl)quinoline
CID 139213783
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696
2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline
CID 121258930
4-[2-(4-chlorophenyl)-3-(3-hydroxybut-1-ynyl)quinolin-4-yl]but-3-yn-2-ol
CID 139213798

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methoxyphenyl)-3-(2-phenylethynyl)quinoline?
The IUPAC name of 4-chloro-2-(4-methoxyphenyl)-3-(2-phenylethynyl)quinoline (CID 139213820) is 4-chloro-2-(4-methoxyphenyl)-3-(2-phenylethynyl)quinoline.
What is the SMILES notation for 4-chloro-2-(4-methoxyphenyl)-3-(2-phenylethynyl)quinoline?
The canonical SMILES for 4-chloro-2-(4-methoxyphenyl)-3-(2-phenylethynyl)quinoline is COc1ccc(-c2nc3ccccc3c(Cl)c2C#Cc2ccccc2)cc1.
What is the InChIKey of 4-chloro-2-(4-methoxyphenyl)-3-(2-phenylethynyl)quinoline?
The InChIKey is CYQGOXNBBOPSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNO/c1-27-19-14-12-18(13-15-19)24-21(16-11-17-7-3-2-4-8-17)23(25)20-9-5-6-10-22(20)26-24/h2-10,12-15H,1H3.
What are the key properties of 4-chloro-2-(4-methoxyphenyl)-3-(2-phenylethynyl)quinoline?
4-chloro-2-(4-methoxyphenyl)-3-(2-phenylethynyl)quinoline has a molecular weight of 369.85 g/mol, XLogP of 5.96, 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)-3-(2-phenylethynyl)quinoline is sourced from PubChem (CID 139213820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).