N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

C16H17N3O2 — CID 107355881

IUPACN-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CNc3ccccc3N2)cc1
InChIInChI=1S/C16H17N3O2/c1-21-12-8-6-11(7-9-12)18-16(20)15-10-17-13-4-2-3-5-14(13)19-15/h2-9,15,17,19H,10H2,1H3,(H,18,20)
InChIKeyDGRAHWPPGBHTHY-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.54
Rot. Bonds3

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

N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (PubChem CID 107355881) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
PubChem CID107355881
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CNc3ccccc3N2)cc1
InChIInChI=1S/C16H17N3O2/c1-21-12-8-6-11(7-9-12)18-16(20)15-10-17-13-4-2-3-5-14(13)19-15/h2-9,15,17,19H,10H2,1H3,(H,18,20)
InChIKeyDGRAHWPPGBHTHY-UHFFFAOYSA-N
XLogP2.54
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.54
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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Related Compounds

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(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51531802
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
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N-(4-methoxyphenyl)-6-methyl-5-oxothiomorpholine-3-carboxamide
CID 102553019
N-(4-methoxyphenyl)-2-oxo-5-phenylpyrrolidine-3-carboxamide
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N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
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N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 2832429
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356189
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CID 109145697

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (CID 107355881) is N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is COc1ccc(NC(=O)C2CNc3ccccc3N2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The InChIKey is DGRAHWPPGBHTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-12-8-6-11(7-9-12)18-16(20)15-10-17-13-4-2-3-5-14(13)19-15/h2-9,15,17,19H,10H2,1H3,(H,18,20).
What are the key properties of N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is sourced from PubChem (CID 107355881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).