N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide

C19H18ClN3O4 — CID 44522264

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2cc(Cl)c(OC)cc2OC)nc2ccccc21
InChIInChI=1S/C19H18ClN3O4/c1-4-23-14-8-6-5-7-12(14)21-17(19(23)25)18(24)22-13-9-11(20)15(26-2)10-16(13)27-3/h5-10H,4H2,1-3H3,(H,22,24)
InChIKeyHGBWBZYYLUSHTR-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.34
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 44522264) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
PubChem CID44522264
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2cc(Cl)c(OC)cc2OC)nc2ccccc21
InChIInChI=1S/C19H18ClN3O4/c1-4-23-14-8-6-5-7-12(14)21-17(19(23)25)18(24)22-13-9-11(20)15(26-2)10-16(13)27-3/h5-10H,4H2,1-3H3,(H,22,24)
InChIKeyHGBWBZYYLUSHTR-UHFFFAOYSA-N
XLogP3.34
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide (CID 44522264) is N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide is CCn1c(=O)c(C(=O)Nc2cc(Cl)c(OC)cc2OC)nc2ccccc21.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is HGBWBZYYLUSHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-4-23-14-8-6-5-7-12(14)21-17(19(23)25)18(24)22-13-9-11(20)15(26-2)10-16(13)27-3/h5-10H,4H2,1-3H3,(H,22,24).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 387.82 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 44522264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).