N-(6-formyl-2,3-dimethoxyphenyl)quinoline-3-carboxamide

C19H16N2O4 — CID 91563363

IUPACN-(6-formyl-2,3-dimethoxyphenyl)quinoline-3-carboxamide
SMILESCOc1ccc(C=O)c(NC(=O)c2cnc3ccccc3c2)c1OC
InChIInChI=1S/C19H16N2O4/c1-24-16-8-7-13(11-22)17(18(16)25-2)21-19(23)14-9-12-5-3-4-6-15(12)20-10-14/h3-11H,1-2H3,(H,21,23)
InChIKeyUKDSDFNGQYQORC-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.32
Rot. Bonds5

About N-(6-formyl-2,3-dimethoxyphenyl)quinoline-3-carboxamide

N-(6-formyl-2,3-dimethoxyphenyl)quinoline-3-carboxamide (PubChem CID 91563363) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(6-formyl-2,3-dimethoxyphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(6-formyl-2,3-dimethoxyphenyl)quinoline-3-carboxamide
PubChem CID91563363
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-(6-formyl-2,3-dimethoxyphenyl)quinoline-3-carboxamide
SMILESCOc1ccc(C=O)c(NC(=O)c2cnc3ccccc3c2)c1OC
InChIInChI=1S/C19H16N2O4/c1-24-16-8-7-13(11-22)17(18(16)25-2)21-19(23)14-9-12-5-3-4-6-15(12)20-10-14/h3-11H,1-2H3,(H,21,23)
InChIKeyUKDSDFNGQYQORC-UHFFFAOYSA-N
XLogP3.32
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-formyl-2,3-dimethoxyphenyl)quinoline-3-carboxamide?
The IUPAC name of N-(6-formyl-2,3-dimethoxyphenyl)quinoline-3-carboxamide (CID 91563363) is N-(6-formyl-2,3-dimethoxyphenyl)quinoline-3-carboxamide.
What is the SMILES notation for N-(6-formyl-2,3-dimethoxyphenyl)quinoline-3-carboxamide?
The canonical SMILES for N-(6-formyl-2,3-dimethoxyphenyl)quinoline-3-carboxamide is COc1ccc(C=O)c(NC(=O)c2cnc3ccccc3c2)c1OC.
What is the InChIKey of N-(6-formyl-2,3-dimethoxyphenyl)quinoline-3-carboxamide?
The InChIKey is UKDSDFNGQYQORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-24-16-8-7-13(11-22)17(18(16)25-2)21-19(23)14-9-12-5-3-4-6-15(12)20-10-14/h3-11H,1-2H3,(H,21,23).
What are the key properties of N-(6-formyl-2,3-dimethoxyphenyl)quinoline-3-carboxamide?
N-(6-formyl-2,3-dimethoxyphenyl)quinoline-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-formyl-2,3-dimethoxyphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 91563363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).