N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide

C19H18ClN3O — CID 39966358

IUPACN-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2nc1C
InChIInChI=1S/C19H18ClN3O/c1-12-13(2)22-18-10-15(7-8-17(18)21-12)19(24)23(3)11-14-5-4-6-16(20)9-14/h4-10H,11H2,1-3H3
InChIKeyFHVNLSZGHXKTEJ-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.17
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide

N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide (PubChem CID 39966358) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide
PubChem CID39966358
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2nc1C
InChIInChI=1S/C19H18ClN3O/c1-12-13(2)22-18-10-15(7-8-17(18)21-12)19(24)23(3)11-14-5-4-6-16(20)9-14/h4-10H,11H2,1-3H3
InChIKeyFHVNLSZGHXKTEJ-UHFFFAOYSA-N
XLogP4.17
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55897423
N,2,3-trimethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 51205761
3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 107999288
N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 46591279
3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 27795286
N-[(3-chlorophenyl)methyl]-N,4-dimethyl-3-nitrobenzamide
CID 27795202
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79593528
N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide
CID 24545195
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258
N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 43010400
N-[(3-chlorophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691680
N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62236819

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide (CID 39966358) is N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2nc1C.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
The InChIKey is FHVNLSZGHXKTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-12-13(2)22-18-10-15(7-8-17(18)21-12)19(24)23(3)11-14-5-4-6-16(20)9-14/h4-10H,11H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 39966358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).