N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C17H25N3O — CID 104615105

IUPACN-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCCC1CCC(NC(=O)c2ccc3c(c2)NCCN3)C1C
InChIInChI=1S/C17H25N3O/c1-3-12-4-6-14(11(12)2)20-17(21)13-5-7-15-16(10-13)19-9-8-18-15/h5,7,10-12,14,18-19H,3-4,6,8-9H2,1-2H3,(H,20,21)
InChIKeyUOCYPLZYLZYMPG-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.08
Rot. Bonds3

About N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 104615105) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID104615105
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCCC1CCC(NC(=O)c2ccc3c(c2)NCCN3)C1C
InChIInChI=1S/C17H25N3O/c1-3-12-4-6-14(11(12)2)20-17(21)13-5-7-15-16(10-13)19-9-8-18-15/h5,7,10-12,14,18-19H,3-4,6,8-9H2,1-2H3,(H,20,21)
InChIKeyUOCYPLZYLZYMPG-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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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 104615105) is N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is CCC1CCC(NC(=O)c2ccc3c(c2)NCCN3)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is UOCYPLZYLZYMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-12-4-6-14(11(12)2)20-17(21)13-5-7-15-16(10-13)19-9-8-18-15/h5,7,10-12,14,18-19H,3-4,6,8-9H2,1-2H3,(H,20,21).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-(3-ethyl-2-methylcyclopentyl)-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-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 104615105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).