N-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

C16H23N3O2 — CID 107356408

IUPACN-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCN(C(=O)C1CNc2ccccc2N1)C1CCCCC1O
InChIInChI=1S/C16H23N3O2/c1-19(14-8-4-5-9-15(14)20)16(21)13-10-17-11-6-2-3-7-12(11)18-13/h2-3,6-7,13-15,17-18,20H,4-5,8-10H2,1H3
InChIKeyCACSKVZNWPFLGN-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.65
Rot. Bonds2

About N-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

N-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (PubChem CID 107356408) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
PubChem CID107356408
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCN(C(=O)C1CNc2ccccc2N1)C1CCCCC1O
InChIInChI=1S/C16H23N3O2/c1-19(14-8-4-5-9-15(14)20)16(21)13-10-17-11-6-2-3-7-12(11)18-13/h2-3,6-7,13-15,17-18,20H,4-5,8-10H2,1H3
InChIKeyCACSKVZNWPFLGN-UHFFFAOYSA-N
XLogP1.65
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (CID 107356408) is N-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is CN(C(=O)C1CNc2ccccc2N1)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The InChIKey is CACSKVZNWPFLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19(14-8-4-5-9-15(14)20)16(21)13-10-17-11-6-2-3-7-12(11)18-13/h2-3,6-7,13-15,17-18,20H,4-5,8-10H2,1H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
N-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is sourced from PubChem (CID 107356408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).