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

C18H21N3O — CID 5084896

IUPAC2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NN=C2CCC(C)CC2)c2ccccc2n1
InChIInChI=1S/C18H21N3O/c1-12-7-9-14(10-8-12)20-21-18(22)16-11-13(2)19-17-6-4-3-5-15(16)17/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)/b20-14-
InChIKeyIHYIWJDKOSHDSA-ZHZULCJRSA-N
MW295.39 g/mol
LogP3.84
Rot. Bonds2

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

2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide (PubChem CID 5084896) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide
PubChem CID5084896
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NN=C2CCC(C)CC2)c2ccccc2n1
InChIInChI=1S/C18H21N3O/c1-12-7-9-14(10-8-12)20-21-18(22)16-11-13(2)19-17-6-4-3-5-15(16)17/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)/b20-14-
InChIKeyIHYIWJDKOSHDSA-ZHZULCJRSA-N
XLogP3.84
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide
CID 5027702
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 166181784
N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7933716
2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
CID 771316
N-[(4-methylcyclohexylidene)amino]-4-phenylbenzamide
CID 4137154
N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
CID 62664736
N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide
CID 55101906
N-(2-aminocyclohexyl)-2-methylquinoline-4-carboxamide
CID 61038363
2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide
CID 79689593
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 43012024
N-(2-fluoro-5-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17434472
(2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid
CID 129467380

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide (CID 5084896) is 2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide is Cc1cc(C(=O)NN=C2CCC(C)CC2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide?
The InChIKey is IHYIWJDKOSHDSA-ZHZULCJRSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12-7-9-14(10-8-12)20-21-18(22)16-11-13(2)19-17-6-4-3-5-15(16)17/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)/b20-14-.
What are the key properties of 2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide?
2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide is sourced from PubChem (CID 5084896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).