6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide

C20H20N2O5 — CID 24747006

IUPAC6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c[nH]c3c(OC)cc(OC)cc3c2=O)cc1
InChIInChI=1S/C20H20N2O5/c1-25-13-6-4-12(5-7-13)10-22-20(24)16-11-21-18-15(19(16)23)8-14(26-2)9-17(18)27-3/h4-9,11H,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVKJXQMZRCLZRIL-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.48
Rot. Bonds6

About 6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide

6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 24747006) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID24747006
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c[nH]c3c(OC)cc(OC)cc3c2=O)cc1
InChIInChI=1S/C20H20N2O5/c1-25-13-6-4-12(5-7-13)10-22-20(24)16-11-21-18-15(19(16)23)8-14(26-2)9-17(18)27-3/h4-9,11H,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVKJXQMZRCLZRIL-UHFFFAOYSA-N
XLogP2.48
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide (CID 24747006) is 6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide is COc1ccc(CNC(=O)c2c[nH]c3c(OC)cc(OC)cc3c2=O)cc1.
What is the InChIKey of 6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is VKJXQMZRCLZRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-25-13-6-4-12(5-7-13)10-22-20(24)16-11-21-18-15(19(16)23)8-14(26-2)9-17(18)27-3/h4-9,11H,10H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 24747006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).