N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide

C19H17ClN2O4 — CID 33316078

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3cc(Cl)c(OC)cc3OC)ccc2c1
InChIInChI=1S/C19H17ClN2O4/c1-24-12-5-7-14-11(8-12)4-6-15(21-14)19(23)22-16-9-13(20)17(25-2)10-18(16)26-3/h4-10H,1-3H3,(H,22,23)
InChIKeyGFMVZYIADCBIKT-UHFFFAOYSA-N
MW372.81 g/mol
LogP4.17
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide (PubChem CID 33316078) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide
PubChem CID33316078
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3cc(Cl)c(OC)cc3OC)ccc2c1
InChIInChI=1S/C19H17ClN2O4/c1-24-12-5-7-14-11(8-12)4-6-15(21-14)19(23)22-16-9-13(20)17(25-2)10-18(16)26-3/h4-10H,1-3H3,(H,22,23)
InChIKeyGFMVZYIADCBIKT-UHFFFAOYSA-N
XLogP4.17
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide (CID 33316078) is N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide is COc1ccc2nc(C(=O)Nc3cc(Cl)c(OC)cc3OC)ccc2c1.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide?
The InChIKey is GFMVZYIADCBIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-24-12-5-7-14-11(8-12)4-6-15(21-14)19(23)22-16-9-13(20)17(25-2)10-18(16)26-3/h4-10H,1-3H3,(H,22,23).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 33316078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).