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

C28H19ClN2O2 — CID 3599973

IUPAC2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C28H19ClN2O2/c29-23-14-6-4-13-21(23)26-18-22(20-12-5-7-15-24(20)30-26)28(32)31-25-16-8-9-17-27(25)33-19-10-2-1-3-11-19/h1-18H,(H,31,32)
InChIKeyVRBBGQXDCLYCTF-UHFFFAOYSA-N
MW450.93 g/mol
LogP7.60
Rot. Bonds5

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

2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide (PubChem CID 3599973) has the molecular formula C28H19ClN2O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
PubChem CID3599973
Molecular FormulaC28H19ClN2O2
Molecular Weight450.93 g/mol
Exact Mass450.11
IUPAC Name2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C28H19ClN2O2/c29-23-14-6-4-13-21(23)26-18-22(20-12-5-7-15-24(20)30-26)28(32)31-25-16-8-9-17-27(25)33-19-10-2-1-3-11-19/h1-18H,(H,31,32)
InChIKeyVRBBGQXDCLYCTF-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-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 4074181
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 2164864
2-(furan-2-yl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 4197636
N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3131012
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353296
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 167970107
2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4611145
methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 1012430

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide (CID 3599973) is 2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide?
The InChIKey is VRBBGQXDCLYCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClN2O2/c29-23-14-6-4-13-21(23)26-18-22(20-12-5-7-15-24(20)30-26)28(32)31-25-16-8-9-17-27(25)33-19-10-2-1-3-11-19/h1-18H,(H,31,32).
What are the key properties of 2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide?
2-(2-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-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3599973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).