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

C29H24N4O3 — CID 5073153

IUPAC2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
SMILESCOc1ccc(-c2nc3ccc(C(=O)NCc4cccnc4)cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H24N4O3/c1-35-23-10-5-20(6-11-23)27-28(21-7-12-24(36-2)13-8-21)33-26-16-22(9-14-25(26)32-27)29(34)31-18-19-4-3-15-30-17-19/h3-17H,18H2,1-2H3,(H,31,34)
InChIKeyVUPYORGZBOFNJX-UHFFFAOYSA-N
MW476.54 g/mol
LogP5.31
Rot. Bonds7

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

2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide (PubChem CID 5073153) has the molecular formula C29H24N4O3 and a molecular weight of 476.54 g/mol. Its IUPAC name is 2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
PubChem CID5073153
Molecular FormulaC29H24N4O3
Molecular Weight476.54 g/mol
Exact Mass476.18
IUPAC Name2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
SMILESCOc1ccc(-c2nc3ccc(C(=O)NCc4cccnc4)cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H24N4O3/c1-35-23-10-5-20(6-11-23)27-28(21-7-12-24(36-2)13-8-21)33-26-16-22(9-14-25(26)32-27)29(34)31-18-19-4-3-15-30-17-19/h3-17H,18H2,1-2H3,(H,31,34)
InChIKeyVUPYORGZBOFNJX-UHFFFAOYSA-N
XLogP5.31
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
1-[4-[3-(4-methoxyphenoxy)propoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 67012284
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157222
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide
CID 129254430
3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide
CID 24538483

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide?
The IUPAC name of 2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide (CID 5073153) is 2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide is COc1ccc(-c2nc3ccc(C(=O)NCc4cccnc4)cc3nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide?
The InChIKey is VUPYORGZBOFNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O3/c1-35-23-10-5-20(6-11-23)27-28(21-7-12-24(36-2)13-8-21)33-26-16-22(9-14-25(26)32-27)29(34)31-18-19-4-3-15-30-17-19/h3-17H,18H2,1-2H3,(H,31,34).
What are the key properties of 2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide?
2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 5073153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).