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

C16H17N3O2 — CID 104614337

IUPACN-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)NCCN3)cc1
InChIInChI=1S/C16H17N3O2/c1-21-13-5-3-12(4-6-13)19-16(20)11-2-7-14-15(10-11)18-9-8-17-14/h2-7,10,17-18H,8-9H2,1H3,(H,19,20)
InChIKeyFBONCAKJIYBGNA-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.78
Rot. Bonds3

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

N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 104614337) 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-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID104614337
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)NCCN3)cc1
InChIInChI=1S/C16H17N3O2/c1-21-13-5-3-12(4-6-13)19-16(20)11-2-7-14-15(10-11)18-9-8-17-14/h2-7,10,17-18H,8-9H2,1H3,(H,19,20)
InChIKeyFBONCAKJIYBGNA-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 57392645
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4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
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N-[4-(cyclopropylamino)phenyl]-4-methoxybenzamide
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methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(4-methoxyphenyl)-4-(4-oxopentanoylamino)benzamide
CID 9415671
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 104614337) is N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)NCCN3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is FBONCAKJIYBGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-13-5-3-12(4-6-13)19-16(20)11-2-7-14-15(10-11)18-9-8-17-14/h2-7,10,17-18H,8-9H2,1H3,(H,19,20).
What are the key properties of N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.78, 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-6-carboxamide is sourced from PubChem (CID 104614337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).