6,7-dimethoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide

C20H20N2O4 — CID 3217657

IUPAC6,7-dimethoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)NCCc3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C20H20N2O4/c1-25-17-10-14-16(11-18(17)26-2)22-12-15(19(14)23)20(24)21-9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLYZFGDFDUIGTCO-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.52
Rot. Bonds6

About 6,7-dimethoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide

6,7-dimethoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (PubChem CID 3217657) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 6,7-dimethoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
PubChem CID3217657
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name6,7-dimethoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)NCCc3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C20H20N2O4/c1-25-17-10-14-16(11-18(17)26-2)22-12-15(19(14)23)20(24)21-9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLYZFGDFDUIGTCO-UHFFFAOYSA-N
XLogP2.52
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6,7-dimethoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (CID 3217657) is 6,7-dimethoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6,7-dimethoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is COc1cc2[nH]cc(C(=O)NCCc3ccccc3)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The InChIKey is LYZFGDFDUIGTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-25-17-10-14-16(11-18(17)26-2)22-12-15(19(14)23)20(24)21-9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 6,7-dimethoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
6,7-dimethoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3217657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).