N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide

C16H19N3O2 — CID 104615428

IUPACN-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide
SMILESO=C(NC1CCCCCC1O)c1cccc2nccnc12
InChIInChI=1S/C16H19N3O2/c20-14-8-3-1-2-6-12(14)19-16(21)11-5-4-7-13-15(11)18-10-9-17-13/h4-5,7,9-10,12,14,20H,1-3,6,8H2,(H,19,21)
InChIKeyMBMDVAMIFNGZQR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.05
Rot. Bonds2

About N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide

N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide (PubChem CID 104615428) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide
PubChem CID104615428
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide
SMILESO=C(NC1CCCCCC1O)c1cccc2nccnc12
InChIInChI=1S/C16H19N3O2/c20-14-8-3-1-2-6-12(14)19-16(21)11-5-4-7-13-15(11)18-10-9-17-13/h4-5,7,9-10,12,14,20H,1-3,6,8H2,(H,19,21)
InChIKeyMBMDVAMIFNGZQR-UHFFFAOYSA-N
XLogP2.05
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 104614148
N-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide
CID 91779085
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide
CID 107953230
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide
CID 146113903
N-[(2-bromocyclohexyl)methyl]quinoxaline-5-carboxamide
CID 104615763
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 45086848
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide
CID 135091371
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide
CID 104956750

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide?
The IUPAC name of N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide (CID 104615428) is N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide is O=C(NC1CCCCCC1O)c1cccc2nccnc12.
What is the InChIKey of N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide?
The InChIKey is MBMDVAMIFNGZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-14-8-3-1-2-6-12(14)19-16(21)11-5-4-7-13-15(11)18-10-9-17-13/h4-5,7,9-10,12,14,20H,1-3,6,8H2,(H,19,21).
What are the key properties of N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide?
N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 104615428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).