N-butyl-3-methoxyquinoxaline-2-carboxamide

C14H17N3O2 — CID 71712276

IUPACN-butyl-3-methoxyquinoxaline-2-carboxamide
SMILESCCCCNC(=O)c1nc2ccccc2nc1OC
InChIInChI=1S/C14H17N3O2/c1-3-4-9-15-13(18)12-14(19-2)17-11-8-6-5-7-10(11)16-12/h5-8H,3-4,9H2,1-2H3,(H,15,18)
InChIKeyCGPIOVJIACXKIK-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.17
Rot. Bonds5

About N-butyl-3-methoxyquinoxaline-2-carboxamide

N-butyl-3-methoxyquinoxaline-2-carboxamide (PubChem CID 71712276) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-butyl-3-methoxyquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-butyl-3-methoxyquinoxaline-2-carboxamide
PubChem CID71712276
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-butyl-3-methoxyquinoxaline-2-carboxamide
SMILESCCCCNC(=O)c1nc2ccccc2nc1OC
InChIInChI=1S/C14H17N3O2/c1-3-4-9-15-13(18)12-14(19-2)17-11-8-6-5-7-10(11)16-12/h5-8H,3-4,9H2,1-2H3,(H,15,18)
InChIKeyCGPIOVJIACXKIK-UHFFFAOYSA-N
XLogP2.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(4-methylphenyl)quinoxaline-2-carboxamide
CID 50780592
(3-Ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 51003391
(3-Ethoxyquinoxalin-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 51003392
(3-Ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 53316660
N-[2-(dimethylamino)ethyl]-3-ethoxyquinoxaline-2-carboxamide
CID 53322760
(3-Ethoxyquinoxalin-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 53316659
N-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide
CID 53320602
N-(2-Hydroxyethyl)-3-methylquinoxaline-2-carboxamide
CID 14086928
3-ethoxy-N-pyridin-3-ylquinoxaline-2-carboxamide
CID 53317964
(4-Benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone
CID 53321673
N-[2-(diethylamino)ethyl]-3-ethoxyquinoxaline-2-carboxamide
CID 53323254
2-(3-methylquinoxalin-2-yl)oxy-N-pentan-3-ylacetamide
CID 2478150

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methoxyquinoxaline-2-carboxamide?
The IUPAC name of N-butyl-3-methoxyquinoxaline-2-carboxamide (CID 71712276) is N-butyl-3-methoxyquinoxaline-2-carboxamide.
What is the SMILES notation for N-butyl-3-methoxyquinoxaline-2-carboxamide?
The canonical SMILES for N-butyl-3-methoxyquinoxaline-2-carboxamide is CCCCNC(=O)c1nc2ccccc2nc1OC.
What is the InChIKey of N-butyl-3-methoxyquinoxaline-2-carboxamide?
The InChIKey is CGPIOVJIACXKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-4-9-15-13(18)12-14(19-2)17-11-8-6-5-7-10(11)16-12/h5-8H,3-4,9H2,1-2H3,(H,15,18).
What are the key properties of N-butyl-3-methoxyquinoxaline-2-carboxamide?
N-butyl-3-methoxyquinoxaline-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methoxyquinoxaline-2-carboxamide is sourced from PubChem (CID 71712276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).