2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide

C28H19ClN2O2 — CID 4074181

IUPAC2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C28H19ClN2O2/c29-20-16-14-19(15-17-20)26-18-23(22-10-4-5-11-24(22)30-26)28(32)31-25-12-6-7-13-27(25)33-21-8-2-1-3-9-21/h1-18H,(H,31,32)
InChIKeySUXWJSNVPWJTKK-UHFFFAOYSA-N
MW450.93 g/mol
LogP7.60
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide

2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide (PubChem CID 4074181) has the molecular formula C28H19ClN2O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
PubChem CID4074181
Molecular FormulaC28H19ClN2O2
Molecular Weight450.93 g/mol
Exact Mass450.11
IUPAC Name2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C28H19ClN2O2/c29-20-16-14-19(15-17-20)26-18-23(22-10-4-5-11-24(22)30-26)28(32)31-25-12-6-7-13-27(25)33-21-8-2-1-3-9-21/h1-18H,(H,31,32)
InChIKeySUXWJSNVPWJTKK-UHFFFAOYSA-N
XLogP7.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.93
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 3599973
2-(furan-2-yl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 4197636
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4611145
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-(5-chloro-2-hydroxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1310618
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 3264826

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide (CID 4074181) is 2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide?
The InChIKey is SUXWJSNVPWJTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClN2O2/c29-20-16-14-19(15-17-20)26-18-23(22-10-4-5-11-24(22)30-26)28(32)31-25-12-6-7-13-27(25)33-21-8-2-1-3-9-21/h1-18H,(H,31,32).
What are the key properties of 2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 7.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4074181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).