N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide

C20H23N5O2 — CID 131922619

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide
SMILESCOc1cc(C(=O)NCc2nncn2C2CCCCC2)nc2ccccc12
InChIInChI=1S/C20H23N5O2/c1-27-18-11-17(23-16-10-6-5-9-15(16)18)20(26)21-12-19-24-22-13-25(19)14-7-3-2-4-8-14/h5-6,9-11,13-14H,2-4,7-8,12H2,1H3,(H,21,26)
InChIKeyAHXLPFHDGHVFKL-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.27
Rot. Bonds5

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide (PubChem CID 131922619) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide
PubChem CID131922619
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide
SMILESCOc1cc(C(=O)NCc2nncn2C2CCCCC2)nc2ccccc12
InChIInChI=1S/C20H23N5O2/c1-27-18-11-17(23-16-10-6-5-9-15(16)18)20(26)21-12-19-24-22-13-25(19)14-7-3-2-4-8-14/h5-6,9-11,13-14H,2-4,7-8,12H2,1H3,(H,21,26)
InChIKeyAHXLPFHDGHVFKL-UHFFFAOYSA-N
XLogP3.27
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,3-difluoro-6-methoxybenzamide
CID 91794017
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 70784422
N-(furan-2-ylmethyl)-4-methoxyquinoline-2-carboxamide
CID 71824016
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-phenoxybutanamide
CID 91769556
4-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]quinoline-2-carboxamide
CID 1263453
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-methoxyquinoline-2-carboxamide
CID 134793904
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 90650095
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide
CID 91829817
2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid
CID 22184988
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide
CID 169414310
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide
CID 77092303
2-benzyl-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 71932413

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide (CID 131922619) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide is COc1cc(C(=O)NCc2nncn2C2CCCCC2)nc2ccccc12.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide?
The InChIKey is AHXLPFHDGHVFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-27-18-11-17(23-16-10-6-5-9-15(16)18)20(26)21-12-19-24-22-13-25(19)14-7-3-2-4-8-14/h5-6,9-11,13-14H,2-4,7-8,12H2,1H3,(H,21,26).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 131922619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).