5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide

C16H20N4O2 — CID 155269546

IUPAC5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide
SMILESCOc1ccc(N2CCCCCC2)c2ncc(C(N)=O)nc12
InChIInChI=1S/C16H20N4O2/c1-22-13-7-6-12(20-8-4-2-3-5-9-20)14-15(13)19-11(10-18-14)16(17)21/h6-7,10H,2-5,8-9H2,1H3,(H2,17,21)
InChIKeyTYVPXHIBGKOELH-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.12
Rot. Bonds3

About 5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide

5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide (PubChem CID 155269546) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide
PubChem CID155269546
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide
SMILESCOc1ccc(N2CCCCCC2)c2ncc(C(N)=O)nc12
InChIInChI=1S/C16H20N4O2/c1-22-13-7-6-12(20-8-4-2-3-5-9-20)14-15(13)19-11(10-18-14)16(17)21/h6-7,10H,2-5,8-9H2,1H3,(H2,17,21)
InChIKeyTYVPXHIBGKOELH-UHFFFAOYSA-N
XLogP2.12
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide
CID 155269525
5,8-dimethoxyquinoline-2-carboxamide
CID 82242899
4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide
CID 69175133
8-methoxy-5-piperidin-1-ylquinoline
CID 86218648
5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289360
2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214933
methyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate
CID 168514912
2-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95551992
3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide
CID 30778979
2,6-dimethoxy-3-piperidin-1-ylphenol
CID 177031782
2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 53214897
6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 95550702

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide (CID 155269546) is 5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide is COc1ccc(N2CCCCCC2)c2ncc(C(N)=O)nc12.
What is the InChIKey of 5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide?
The InChIKey is TYVPXHIBGKOELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-22-13-7-6-12(20-8-4-2-3-5-9-20)14-15(13)19-11(10-18-14)16(17)21/h6-7,10H,2-5,8-9H2,1H3,(H2,17,21).
What are the key properties of 5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide?
5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-8-methoxyquinoxaline-2-carboxamide is sourced from PubChem (CID 155269546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).