N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide

C29H29N3O3 — CID 4162047

IUPACN-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
SMILESCOc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H29N3O3/c1-34-23-13-8-19(9-14-23)27-28(20-10-15-24(35-2)16-11-20)32-26-18-21(12-17-25(26)31-27)29(33)30-22-6-4-3-5-7-22/h8-18,22H,3-7H2,1-2H3,(H,30,33)
InChIKeyDAWTVSUZFAYWNZ-UHFFFAOYSA-N
MW467.57 g/mol
LogP6.04
Rot. Bonds6

About N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide

N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide (PubChem CID 4162047) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
PubChem CID4162047
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC NameN-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
SMILESCOc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H29N3O3/c1-34-23-13-8-19(9-14-23)27-28(20-10-15-24(35-2)16-11-20)32-26-18-21(12-17-25(26)31-27)29(33)30-22-6-4-3-5-7-22/h8-18,22H,3-7H2,1-2H3,(H,30,33)
InChIKeyDAWTVSUZFAYWNZ-UHFFFAOYSA-N
XLogP6.04
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide
CID 46368946
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 93050560
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide
CID 22588027
N-cyclopentyl-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide
CID 3236343
N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757519
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide
CID 20967727
N-cycloheptyl-3-methoxy-2-methylindazole-6-carboxamide
CID 90609130
N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089603
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclohexyl-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide?
The IUPAC name of N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide (CID 4162047) is N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide is COc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide?
The InChIKey is DAWTVSUZFAYWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-34-23-13-8-19(9-14-23)27-28(20-10-15-24(35-2)16-11-20)32-26-18-21(12-17-25(26)31-27)29(33)30-22-6-4-3-5-7-22/h8-18,22H,3-7H2,1-2H3,(H,30,33).
What are the key properties of N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide?
N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 4162047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).