N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C15H23N3O — CID 104614576

IUPACN-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCC(C)CC(C)NC(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C15H23N3O/c1-10(2)8-11(3)18-15(19)12-4-5-13-14(9-12)17-7-6-16-13/h4-5,9-11,16-17H,6-8H2,1-3H3,(H,18,19)
InChIKeyUGYRDUWIAGZRKF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.69
Rot. Bonds4

About N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 104614576) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID104614576
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCC(C)CC(C)NC(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C15H23N3O/c1-10(2)8-11(3)18-15(19)12-4-5-13-14(9-12)17-7-6-16-13/h4-5,9-11,16-17H,6-8H2,1-3H3,(H,18,19)
InChIKeyUGYRDUWIAGZRKF-UHFFFAOYSA-N
XLogP2.69
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104828504
N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614761
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103839182
4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 836976
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 83177553
4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide
CID 107074043
N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61252678
3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59910538
N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614845
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614995
3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide
CID 91649720

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 104614576) is N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is CC(C)CC(C)NC(=O)c1ccc2c(c1)NCCN2.
What is the InChIKey of N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is UGYRDUWIAGZRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(2)8-11(3)18-15(19)12-4-5-13-14(9-12)17-7-6-16-13/h4-5,9-11,16-17H,6-8H2,1-3H3,(H,18,19).
What are the key properties of N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 104614576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).