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

C18H20N2O3 — CID 24818438

IUPACN-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCc3ccccc32)c(OC)c1
InChIInChI=1S/C18H20N2O3/c1-22-14-9-10-15(17(12-14)23-2)19-18(21)20-11-5-7-13-6-3-4-8-16(13)20/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,19,21)
InChIKeyVMKCJRPLRPVMTD-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.69
Rot. Bonds3

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

N-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 24818438) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID24818438
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCc3ccccc32)c(OC)c1
InChIInChI=1S/C18H20N2O3/c1-22-14-9-10-15(17(12-14)23-2)19-18(21)20-11-5-7-13-6-3-4-8-16(13)20/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,19,21)
InChIKeyVMKCJRPLRPVMTD-UHFFFAOYSA-N
XLogP3.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.69
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)-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide (CID 24818438) is N-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide is COc1ccc(NC(=O)N2CCCc3ccccc32)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is VMKCJRPLRPVMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-14-9-10-15(17(12-14)23-2)19-18(21)20-11-5-7-13-6-3-4-8-16(13)20/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
N-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.69, 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)-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 24818438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).