N-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

C19H22N2O3 — CID 2211212

IUPACN-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCc3cc(C)ccc32)c(OC)c1
InChIInChI=1S/C19H22N2O3/c1-13-6-9-17-14(11-13)5-4-10-21(17)19(22)20-16-8-7-15(23-2)12-18(16)24-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,22)
InChIKeySXGLSFBAPZVTOC-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.00
Rot. Bonds3

About N-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

N-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 2211212) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID2211212
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCc3cc(C)ccc32)c(OC)c1
InChIInChI=1S/C19H22N2O3/c1-13-6-9-17-14(11-13)5-4-10-21(17)19(22)20-16-8-7-15(23-2)12-18(16)24-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,22)
InChIKeySXGLSFBAPZVTOC-UHFFFAOYSA-N
XLogP4.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 2211212) is N-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is COc1ccc(NC(=O)N2CCCc3cc(C)ccc32)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is SXGLSFBAPZVTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-6-9-17-14(11-13)5-4-10-21(17)19(22)20-16-8-7-15(23-2)12-18(16)24-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
N-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 2211212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).