2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide

C17H17N3O2 — CID 5027702

IUPAC2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NN=C2CCCC(=O)C2)c2ccccc2n1
InChIInChI=1S/C17H17N3O2/c1-11-9-15(14-7-2-3-8-16(14)18-11)17(22)20-19-12-5-4-6-13(21)10-12/h2-3,7-9H,4-6,10H2,1H3,(H,20,22)
InChIKeyDEGBJABCHHOFLJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.77
Rot. Bonds2

About 2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide

2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide (PubChem CID 5027702) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide
PubChem CID5027702
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NN=C2CCCC(=O)C2)c2ccccc2n1
InChIInChI=1S/C17H17N3O2/c1-11-9-15(14-7-2-3-8-16(14)18-11)17(22)20-19-12-5-4-6-13(21)10-12/h2-3,7-9H,4-6,10H2,1H3,(H,20,22)
InChIKeyDEGBJABCHHOFLJ-UHFFFAOYSA-N
XLogP2.77
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.77
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

2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide
CID 5084896
N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7933716
2-methyl-N'-(3-oxocyclohexen-1-yl)quinoline-4-carbohydrazide
CID 2408482
2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
CID 771316
2-methyl-N-piperidin-1-ylquinoline-4-carboxamide
CID 9271376
N-[(Z)-(4-chloro-1-phenylbutylidene)amino]-2-methylquinoline-4-carboxamide
CID 6534705
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
2-methyl-N-[(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]quinoline-4-carboxamide
CID 92898718
N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide
CID 61119261
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 2117314
N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide
CID 115643532
N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide
CID 61038363

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide (CID 5027702) is 2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide is Cc1cc(C(=O)NN=C2CCCC(=O)C2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide?
The InChIKey is DEGBJABCHHOFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-9-15(14-7-2-3-8-16(14)18-11)17(22)20-19-12-5-4-6-13(21)10-12/h2-3,7-9H,4-6,10H2,1H3,(H,20,22).
What are the key properties of 2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide?
2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide is sourced from PubChem (CID 5027702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).