N-[4-chloro-3-(8-methylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide

C24H20ClN3O3 — CID 59826536

IUPACN-[4-chloro-3-(8-methylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3cnc4cccc(C)c4n3)c2)c1
InChIInChI=1S/C24H20ClN3O3/c1-14-5-4-6-21-23(14)28-22(13-26-21)19-11-16(7-8-20(19)25)27-24(29)15-9-17(30-2)12-18(10-15)31-3/h4-13H,1-3H3,(H,27,29)
InChIKeyRIFXANDWJQXHOH-UHFFFAOYSA-N
MW433.90 g/mol
LogP5.53
Rot. Bonds5

About N-[4-chloro-3-(8-methylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide

N-[4-chloro-3-(8-methylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide (PubChem CID 59826536) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-[4-chloro-3-(8-methylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(8-methylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide
PubChem CID59826536
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC NameN-[4-chloro-3-(8-methylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3cnc4cccc(C)c4n3)c2)c1
InChIInChI=1S/C24H20ClN3O3/c1-14-5-4-6-21-23(14)28-22(13-26-21)19-11-16(7-8-20(19)25)27-24(29)15-9-17(30-2)12-18(10-15)31-3/h4-13H,1-3H3,(H,27,29)
InChIKeyRIFXANDWJQXHOH-UHFFFAOYSA-N
XLogP5.53
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 ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(8-methylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-chloro-3-(8-methylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide (CID 59826536) is N-[4-chloro-3-(8-methylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-chloro-3-(8-methylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-chloro-3-(8-methylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3cnc4cccc(C)c4n3)c2)c1.
What is the InChIKey of N-[4-chloro-3-(8-methylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide?
The InChIKey is RIFXANDWJQXHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-14-5-4-6-21-23(14)28-22(13-26-21)19-11-16(7-8-20(19)25)27-24(29)15-9-17(30-2)12-18(10-15)31-3/h4-13H,1-3H3,(H,27,29).
What are the key properties of N-[4-chloro-3-(8-methylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide?
N-[4-chloro-3-(8-methylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide has a molecular weight of 433.90 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(8-methylquinoxalin-2-yl)phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 59826536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).