N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide

C24H20ClN3O3 — CID 50780071

IUPACN-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
SMILESCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClN3O3/c1-14-12-20-21(13-15(14)2)28-24(30-3)22(27-20)23(29)26-17-6-10-19(11-7-17)31-18-8-4-16(25)5-9-18/h4-13H,1-3H3,(H,26,29)
InChIKeyNUEFWDBFSRCTRF-UHFFFAOYSA-N
MW433.90 g/mol
LogP5.95
Rot. Bonds5

About N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide

N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide (PubChem CID 50780071) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
PubChem CID50780071
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
SMILESCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClN3O3/c1-14-12-20-21(13-15(14)2)28-24(30-3)22(27-20)23(29)26-17-6-10-19(11-7-17)31-18-8-4-16(25)5-9-18/h4-13H,1-3H3,(H,26,29)
InChIKeyNUEFWDBFSRCTRF-UHFFFAOYSA-N
XLogP5.95
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-6,7-dimethyl-N-(4-methylphenyl)quinoxaline-2-carboxamide
CID 50780048
3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide
CID 50779903
N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780090
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
N-(4-ethoxyphenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779957
N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779956
N-(4-bromo-3-methylphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780732
N-[4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 22917108
N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
CID 50779973
N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
CID 50779889
5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319872
3-[[4-[(4-chlorophenyl)methylideneamino]phenyl]carbamoyl]-6,7-dimethylquinoxaline-2-carboxylic acid
CID 10874182

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide (CID 50780071) is N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide is COc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide?
The InChIKey is NUEFWDBFSRCTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-14-12-20-21(13-15(14)2)28-24(30-3)22(27-20)23(29)26-17-6-10-19(11-7-17)31-18-8-4-16(25)5-9-18/h4-13H,1-3H3,(H,26,29).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide?
N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide is sourced from PubChem (CID 50780071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).