N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C16H17N3O — CID 104614366

IUPACN-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(c1)NCCN2
InChIInChI=1S/C16H17N3O/c20-16(19-11-12-4-2-1-3-5-12)13-6-7-14-15(10-13)18-9-8-17-14/h1-7,10,17-18H,8-9,11H2,(H,19,20)
InChIKeyLFQLBCPTXJICGG-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.45
Rot. Bonds3

About N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 104614366) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID104614366
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(c1)NCCN2
InChIInChI=1S/C16H17N3O/c20-16(19-11-12-4-2-1-3-5-12)13-6-7-14-15(10-13)18-9-8-17-14/h1-7,10,17-18H,8-9,11H2,(H,19,20)
InChIKeyLFQLBCPTXJICGG-UHFFFAOYSA-N
XLogP2.45
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 114332238
N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 138993218
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-benzyl-3,4-difluorobenzamide
CID 1294460
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614869
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614995
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
N-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
CID 11300878

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 104614366) is N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is O=C(NCc1ccccc1)c1ccc2c(c1)NCCN2.
What is the InChIKey of N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is LFQLBCPTXJICGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(19-11-12-4-2-1-3-5-12)13-6-7-14-15(10-13)18-9-8-17-14/h1-7,10,17-18H,8-9,11H2,(H,19,20).
What are the key properties of N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 104614366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).