N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide

C13H15N3O2 — CID 62876403

IUPACN-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide
SMILESCC(O)CN(C)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C13H15N3O2/c1-9(17)8-16(2)13(18)10-3-4-11-12(7-10)15-6-5-14-11/h3-7,9,17H,8H2,1-2H3
InChIKeyLXSGZRCJEUSYNV-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.08
Rot. Bonds3

About N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide

N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide (PubChem CID 62876403) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide
PubChem CID62876403
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide
SMILESCC(O)CN(C)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C13H15N3O2/c1-9(17)8-16(2)13(18)10-3-4-11-12(7-10)15-6-5-14-11/h3-7,9,17H,8H2,1-2H3
InChIKeyLXSGZRCJEUSYNV-UHFFFAOYSA-N
XLogP1.08
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide
CID 62850042
3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid
CID 62338581
4-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334746
3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid
CID 62849526
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 55061119
4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide
CID 146272515
4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 103876616
N-(2-hydroxypropyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62334420
N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide
CID 146083370
N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide
CID 55162088
N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide
CID 64541023
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide
CID 9438354

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide (CID 62876403) is N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide is CC(O)CN(C)C(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide?
The InChIKey is LXSGZRCJEUSYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(17)8-16(2)13(18)10-3-4-11-12(7-10)15-6-5-14-11/h3-7,9,17H,8H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide?
N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide is sourced from PubChem (CID 62876403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).