N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide

C23H17ClN2O3 — CID 55759235

IUPACN-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c2ccccc21
InChIInChI=1S/C23H17ClN2O3/c1-26-20-8-4-2-6-17(20)18(14-22(26)27)23(28)25-15-10-12-16(13-11-15)29-21-9-5-3-7-19(21)24/h2-14H,1H3,(H,25,28)
InChIKeyKVVQIHZZKVOIHO-UHFFFAOYSA-N
MW404.85 g/mol
LogP5.24
Rot. Bonds4

About N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide

N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 55759235) has the molecular formula C23H17ClN2O3 and a molecular weight of 404.85 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID55759235
Molecular FormulaC23H17ClN2O3
Molecular Weight404.85 g/mol
Exact Mass404.09
IUPAC NameN-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c2ccccc21
InChIInChI=1S/C23H17ClN2O3/c1-26-20-8-4-2-6-17(20)18(14-22(26)27)23(28)25-15-10-12-16(13-11-15)29-21-9-5-3-7-19(21)24/h2-14H,1H3,(H,25,28)
InChIKeyKVVQIHZZKVOIHO-UHFFFAOYSA-N
XLogP5.24
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.85
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 91822577
N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694551
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55804308
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55787078
N-(2-ethoxyphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694536
2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide
CID 34168356
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55786997
1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide
CID 55787470
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55786897

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 55759235) is N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide is Cn1c(=O)cc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c2ccccc21.
What is the InChIKey of N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is KVVQIHZZKVOIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3/c1-26-20-8-4-2-6-17(20)18(14-22(26)27)23(28)25-15-10-12-16(13-11-15)29-21-9-5-3-7-19(21)24/h2-14H,1H3,(H,25,28).
What are the key properties of N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 404.85 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55759235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).