N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

C17H19N3O — CID 104614657

IUPACN-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cccc3c2NCCN3)c1
InChIInChI=1S/C17H19N3O/c1-12-4-2-5-13(10-12)11-20-17(21)14-6-3-7-15-16(14)19-9-8-18-15/h2-7,10,18-19H,8-9,11H2,1H3,(H,20,21)
InChIKeyKFCAQYYFEWKVFW-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.76
Rot. Bonds3

About N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 104614657) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID104614657
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cccc3c2NCCN3)c1
InChIInChI=1S/C17H19N3O/c1-12-4-2-5-13(10-12)11-20-17(21)14-6-3-7-15-16(14)19-9-8-18-15/h2-7,10,18-19H,8-9,11H2,1H3,(H,20,21)
InChIKeyKFCAQYYFEWKVFW-UHFFFAOYSA-N
XLogP2.76
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558148
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106048121
N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide
CID 63107843
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 62179516
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80979004
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 112575105
2-methyl-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992155
N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide
CID 34166968

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 104614657) is N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is Cc1cccc(CNC(=O)c2cccc3c2NCCN3)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is KFCAQYYFEWKVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-4-2-5-13(10-12)11-20-17(21)14-6-3-7-15-16(14)19-9-8-18-15/h2-7,10,18-19H,8-9,11H2,1H3,(H,20,21).
What are the key properties of N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 104614657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).