N-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide

C19H19ClN4O — CID 46365134

IUPACN-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide
SMILESCCN(CC)c1nc2ccccc2nc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O/c1-3-24(4-2)18-17(22-15-10-5-6-11-16(15)23-18)19(25)21-14-9-7-8-13(20)12-14/h5-12H,3-4H2,1-2H3,(H,21,25)
InChIKeyLZDGXSKUNXSCBI-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.38
Rot. Bonds5

About N-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide

N-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide (PubChem CID 46365134) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide
PubChem CID46365134
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC NameN-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide
SMILESCCN(CC)c1nc2ccccc2nc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O/c1-3-24(4-2)18-17(22-15-10-5-6-11-16(15)23-18)19(25)21-14-9-7-8-13(20)12-14/h5-12H,3-4H2,1-2H3,(H,21,25)
InChIKeyLZDGXSKUNXSCBI-UHFFFAOYSA-N
XLogP4.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylamino)-N-(3-methoxyphenyl)quinoxaline-2-carboxamide
CID 46365121
3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide
CID 46365158
N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide
CID 110858888
3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide
CID 46365100
N-(3-chlorophenyl)-3-ethoxyquinoxaline-2-carboxamide
CID 50780737
N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194760
N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide
CID 109286897
N-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide
CID 46365153
6-[benzyl(ethyl)amino]-N-(3-chlorophenyl)pyridazine-3-carboxamide
CID 109120537
N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide
CID 46435319
N-(3-chlorophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62238582
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide (CID 46365134) is N-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide is CCN(CC)c1nc2ccccc2nc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide?
The InChIKey is LZDGXSKUNXSCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-3-24(4-2)18-17(22-15-10-5-6-11-16(15)23-18)19(25)21-14-9-7-8-13(20)12-14/h5-12H,3-4H2,1-2H3,(H,21,25).
What are the key properties of N-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide?
N-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide is sourced from PubChem (CID 46365134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).