2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

C20H20N2O4 — CID 2117370

IUPAC2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-12-9-15(14-7-5-6-8-16(14)21-12)20(23)22-13-10-17(24-2)19(26-4)18(11-13)25-3/h5-11H,1-4H3,(H,22,23)
InChIKeyFNTCKTYCSMRLRD-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.82
Rot. Bonds5

About 2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 2117370) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID2117370
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-12-9-15(14-7-5-6-8-16(14)21-12)20(23)22-13-10-17(24-2)19(26-4)18(11-13)25-3/h5-11H,1-4H3,(H,22,23)
InChIKeyFNTCKTYCSMRLRD-UHFFFAOYSA-N
XLogP3.82
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 2117370) is 2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is COc1cc(NC(=O)c2cc(C)nc3ccccc23)cc(OC)c1OC.
What is the InChIKey of 2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is FNTCKTYCSMRLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-12-9-15(14-7-5-6-8-16(14)21-12)20(23)22-13-10-17(24-2)19(26-4)18(11-13)25-3/h5-11H,1-4H3,(H,22,23).
What are the key properties of 2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2117370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).