2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline

C22H16ClNO — CID 4663035

IUPAC2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline
SMILESCOc1ccc(-c2c(-c3ccccc3)c(Cl)nc3ccccc23)cc1
InChIInChI=1S/C22H16ClNO/c1-25-17-13-11-16(12-14-17)20-18-9-5-6-10-19(18)24-22(23)21(20)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyDLDDDHXUSQFBFR-UHFFFAOYSA-N
MW345.83 g/mol
LogP6.23
Rot. Bonds3

About 2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline

2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline (PubChem CID 4663035) has the molecular formula C22H16ClNO and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline.

Molecular Properties

Compound Name2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline
PubChem CID4663035
Molecular FormulaC22H16ClNO
Molecular Weight345.83 g/mol
Exact Mass345.09
IUPAC Name2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline
SMILESCOc1ccc(-c2c(-c3ccccc3)c(Cl)nc3ccccc23)cc1
InChIInChI=1S/C22H16ClNO/c1-25-17-13-11-16(12-14-17)20-18-9-5-6-10-19(18)24-22(23)21(20)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyDLDDDHXUSQFBFR-UHFFFAOYSA-N
XLogP6.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 56.23
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-4-(4-methoxyphenyl)-3-phenylquinoline?
The IUPAC name of 2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline (CID 4663035) is 2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline.
What is the SMILES notation for 2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline?
The canonical SMILES for 2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline is COc1ccc(-c2c(-c3ccccc3)c(Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline?
The InChIKey is DLDDDHXUSQFBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO/c1-25-17-13-11-16(12-14-17)20-18-9-5-6-10-19(18)24-22(23)21(20)15-7-3-2-4-8-15/h2-14H,1H3.
What are the key properties of 2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline?
2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline has a molecular weight of 345.83 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methoxyphenyl)-3-phenylquinoline is sourced from PubChem (CID 4663035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).