N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide

C15H15N3O — CID 104577691

IUPACN-propyl-N-prop-2-ynylquinoxaline-5-carboxamide
SMILESC#CCN(CCC)C(=O)c1cccc2nccnc12
InChIInChI=1S/C15H15N3O/c1-3-10-18(11-4-2)15(19)12-6-5-7-13-14(12)17-9-8-16-13/h1,5-9H,4,10-11H2,2H3
InChIKeyNWRWPRDWIJLSKV-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.12
Rot. Bonds4

About N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide

N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide (PubChem CID 104577691) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-propyl-N-prop-2-ynylquinoxaline-5-carboxamide
PubChem CID104577691
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-propyl-N-prop-2-ynylquinoxaline-5-carboxamide
SMILESC#CCN(CCC)C(=O)c1cccc2nccnc12
InChIInChI=1S/C15H15N3O/c1-3-10-18(11-4-2)15(19)12-6-5-7-13-14(12)17-9-8-16-13/h1,5-9H,4,10-11H2,2H3
InChIKeyNWRWPRDWIJLSKV-UHFFFAOYSA-N
XLogP2.12
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-propyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754870
2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 78970596
2,3-dichloro-N-propyl-N-prop-2-ynylbenzamide
CID 78971088
2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide
CID 78971123
2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 80717799
2-bromo-N-propyl-N-prop-2-ynylbenzamide
CID 78971034
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
ethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate
CID 104577671
3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide
CID 104742747
N-(2-cyanoethyl)-N-(2-methoxyethyl)quinoxaline-5-carboxamide
CID 104578268
6-bromo-N-propyl-N-prop-2-ynylpyridine-2-carboxamide
CID 103889845
2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid
CID 104614064

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide?
The IUPAC name of N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide (CID 104577691) is N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide.
What is the SMILES notation for N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide?
The canonical SMILES for N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide is C#CCN(CCC)C(=O)c1cccc2nccnc12.
What is the InChIKey of N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide?
The InChIKey is NWRWPRDWIJLSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-3-10-18(11-4-2)15(19)12-6-5-7-13-14(12)17-9-8-16-13/h1,5-9H,4,10-11H2,2H3.
What are the key properties of N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide?
N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide is sourced from PubChem (CID 104577691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).