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

C19H19N3O2 — CID 110694551

IUPACN-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(=O)n(C)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-21(2)14-10-8-13(9-11-14)20-19(24)16-12-18(23)22(3)17-7-5-4-6-15(16)17/h4-12H,1-3H3,(H,20,24)
InChIKeyYURYEPDQEOEXSC-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.86
Rot. Bonds3

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

N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 110694551) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID110694551
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(=O)n(C)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-21(2)14-10-8-13(9-11-14)20-19(24)16-12-18(23)22(3)17-7-5-4-6-15(16)17/h4-12H,1-3H3,(H,20,24)
InChIKeyYURYEPDQEOEXSC-UHFFFAOYSA-N
XLogP2.86
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 91822577
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
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
1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 55791000
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55794278
1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide
CID 55920183
N-(2,4-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694516
N-(2,3-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694521

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 110694551) is N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide is CN(C)c1ccc(NC(=O)c2cc(=O)n(C)c3ccccc23)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is YURYEPDQEOEXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-21(2)14-10-8-13(9-11-14)20-19(24)16-12-18(23)22(3)17-7-5-4-6-15(16)17/h4-12H,1-3H3,(H,20,24).
What are the key properties of N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 110694551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).