N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide

C17H14ClN3O2 — CID 50780737

IUPACN-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide
SMILESCCOc1nc2ccccc2nc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O2/c1-2-23-17-15(20-13-8-3-4-9-14(13)21-17)16(22)19-12-7-5-6-11(18)10-12/h3-10H,2H2,1H3,(H,19,22)
InChIKeyRLDHADFUAWIZJI-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.93
Rot. Bonds4

About N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide

N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide (PubChem CID 50780737) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide
PubChem CID50780737
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide
SMILESCCOc1nc2ccccc2nc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O2/c1-2-23-17-15(20-13-8-3-4-9-14(13)21-17)16(22)19-12-7-5-6-11(18)10-12/h3-10H,2H2,1H3,(H,19,22)
InChIKeyRLDHADFUAWIZJI-UHFFFAOYSA-N
XLogP3.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide
CID 110858888
N-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide
CID 46365134
3-ethoxy-N-(3-ethylphenyl)-6,7-dimethylquinoxaline-2-carboxamide
CID 50779971
N-(3-acetylphenyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780095
N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779956
1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049963
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
CID 69341761
5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108789
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide
CID 109037963
ethyl 2-(3-chloroanilino)prop-2-enoate
CID 150837034
N-(3-chlorophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62238582

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide (CID 50780737) is N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide is CCOc1nc2ccccc2nc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide?
The InChIKey is RLDHADFUAWIZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-2-23-17-15(20-13-8-3-4-9-14(13)21-17)16(22)19-12-7-5-6-11(18)10-12/h3-10H,2H2,1H3,(H,19,22).
What are the key properties of N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide?
N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide is sourced from PubChem (CID 50780737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).