N-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide

C24H19N3O2 — CID 55753020

IUPACN-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)NN=C(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H19N3O2/c1-27-21-15-9-8-14-19(21)20(16-22(27)28)24(29)26-25-23(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16H,1H3,(H,26,29)
InChIKeyZIGDUVJIFYNLOD-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.72
Rot. Bonds4

About N-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide

N-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 55753020) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID55753020
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC NameN-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)NN=C(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H19N3O2/c1-27-21-15-9-8-14-19(21)20(16-22(27)28)24(29)26-25-23(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16H,1H3,(H,26,29)
InChIKeyZIGDUVJIFYNLOD-UHFFFAOYSA-N
XLogP3.72
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide
CID 55756003
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 91822577
N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694501
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694551
N-(2,4-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694516
N-(2,3-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694521
N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 55765922
N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide (CID 55753020) is N-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide is Cn1c(=O)cc(C(=O)NN=C(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of N-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is ZIGDUVJIFYNLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-27-21-15-9-8-14-19(21)20(16-22(27)28)24(29)26-25-23(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16H,1H3,(H,26,29).
What are the key properties of N-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide?
N-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55753020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).