N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C20H22Cl2N2O2 — CID 155511466

IUPACN-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCC1C(C(=O)Nc2cc(Cl)ccc2Cl)=C(C)NC2=C1C(=O)CCC2
InChIInChI=1S/C20H22Cl2N2O2/c1-3-5-13-18(11(2)23-15-6-4-7-17(25)19(13)15)20(26)24-16-10-12(21)8-9-14(16)22/h8-10,13,23H,3-7H2,1-2H3,(H,24,26)
InChIKeyIIXZJMYGKNKDGN-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.23
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155511466) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155511466
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC NameN-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCC1C(C(=O)Nc2cc(Cl)ccc2Cl)=C(C)NC2=C1C(=O)CCC2
InChIInChI=1S/C20H22Cl2N2O2/c1-3-5-13-18(11(2)23-15-6-4-7-17(25)19(13)15)20(26)24-16-10-12(21)8-9-14(16)22/h8-10,13,23H,3-7H2,1-2H3,(H,24,26)
InChIKeyIIXZJMYGKNKDGN-UHFFFAOYSA-N
XLogP5.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155511466) is N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCCC1C(C(=O)Nc2cc(Cl)ccc2Cl)=C(C)NC2=C1C(=O)CCC2.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is IIXZJMYGKNKDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-3-5-13-18(11(2)23-15-6-4-7-17(25)19(13)15)20(26)24-16-10-12(21)8-9-14(16)22/h8-10,13,23H,3-7H2,1-2H3,(H,24,26).
What are the key properties of N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 393.31 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155511466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).