1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide

C24H20N4O3 — CID 55909182

IUPAC1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C24H20N4O3/c1-28-21-10-6-5-9-19(21)20(15-22(28)29)23(30)25-17-11-13-18(14-12-17)27-24(31)26-16-7-3-2-4-8-16/h2-15H,1H3,(H,25,30)(H2,26,27,31)
InChIKeyJMEYPMYLMCRSQP-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.43
Rot. Bonds4

About 1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide

1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide (PubChem CID 55909182) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
PubChem CID55909182
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C24H20N4O3/c1-28-21-10-6-5-9-19(21)20(15-22(28)29)23(30)25-17-11-13-18(14-12-17)27-24(31)26-16-7-3-2-4-8-16/h2-15H,1H3,(H,25,30)(H2,26,27,31)
InChIKeyJMEYPMYLMCRSQP-UHFFFAOYSA-N
XLogP4.43
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 91822577
N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694551
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55794278
N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55759235
1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide
CID 55787470
N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55880912
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 55791000
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55804308
1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide
CID 55920183

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide (CID 55909182) is 1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide is Cn1c(=O)cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide?
The InChIKey is JMEYPMYLMCRSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-28-21-10-6-5-9-19(21)20(15-22(28)29)23(30)25-17-11-13-18(14-12-17)27-24(31)26-16-7-3-2-4-8-16/h2-15H,1H3,(H,25,30)(H2,26,27,31).
What are the key properties of 1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide?
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 4.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 55909182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).