N-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide

C16H18ClN3O — CID 104615686

IUPACN-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide
SMILESO=C(c1cccc2nccnc12)N(CCCl)C1CCCC1
InChIInChI=1S/C16H18ClN3O/c17-8-11-20(12-4-1-2-5-12)16(21)13-6-3-7-14-15(13)19-10-9-18-14/h3,6-7,9-10,12H,1-2,4-5,8,11H2
InChIKeyPFYIULUFQNDWJJ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.25
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide

N-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide (PubChem CID 104615686) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide
PubChem CID104615686
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide
SMILESO=C(c1cccc2nccnc12)N(CCCl)C1CCCC1
InChIInChI=1S/C16H18ClN3O/c17-8-11-20(12-4-1-2-5-12)16(21)13-6-3-7-14-15(13)19-10-9-18-14/h3,6-7,9-10,12H,1-2,4-5,8,11H2
InChIKeyPFYIULUFQNDWJJ-UHFFFAOYSA-N
XLogP3.25
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide (CID 104615686) is N-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide is O=C(c1cccc2nccnc12)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide?
The InChIKey is PFYIULUFQNDWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-8-11-20(12-4-1-2-5-12)16(21)13-6-3-7-14-15(13)19-10-9-18-14/h3,6-7,9-10,12H,1-2,4-5,8,11H2.
What are the key properties of N-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide?
N-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopentylquinoxaline-5-carboxamide is sourced from PubChem (CID 104615686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).