N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C17H25N3O — CID 104614995

IUPACN-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCC1CCC(CNC(=O)c2ccc3c(c2)NCCN3)CC1
InChIInChI=1S/C17H25N3O/c1-12-2-4-13(5-3-12)11-20-17(21)14-6-7-15-16(10-14)19-9-8-18-15/h6-7,10,12-13,18-19H,2-5,8-9,11H2,1H3,(H,20,21)
InChIKeyBKGUEQDTVBHVSB-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.08
Rot. Bonds3

About N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 104614995) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID104614995
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCC1CCC(CNC(=O)c2ccc3c(c2)NCCN3)CC1
InChIInChI=1S/C17H25N3O/c1-12-2-4-13(5-3-12)11-20-17(21)14-6-7-15-16(10-14)19-9-8-18-15/h6-7,10,12-13,18-19H,2-5,8-9,11H2,1H3,(H,20,21)
InChIKeyBKGUEQDTVBHVSB-UHFFFAOYSA-N
XLogP3.08
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614849
4-hydroxy-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 103956686
4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010
N-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614609
N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614971
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106135432
4-(ethylamino)-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 63247733
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63244251
2-cyclopropyl-1-(1,2,3,4-tetrahydroquinoxalin-6-yl)ethanone
CID 174817555
N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614671
2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)ethyl carbamate
CID 104615254
4-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitrobenzamide
CID 61409750

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 104614995) is N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is CC1CCC(CNC(=O)c2ccc3c(c2)NCCN3)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is BKGUEQDTVBHVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-2-4-13(5-3-12)11-20-17(21)14-6-7-15-16(10-14)19-9-8-18-15/h6-7,10,12-13,18-19H,2-5,8-9,11H2,1H3,(H,20,21).
What are the key properties of N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 104614995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).