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

C20H23ClN2O2 — CID 155569134

IUPACN-(2-chlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCC1C(C(=O)Nc2ccccc2Cl)=C(C)NC2=C1C(=O)CCC2
InChIInChI=1S/C20H23ClN2O2/c1-3-7-13-18(20(25)23-15-9-5-4-8-14(15)21)12(2)22-16-10-6-11-17(24)19(13)16/h4-5,8-9,13,22H,3,6-7,10-11H2,1-2H3,(H,23,25)
InChIKeyOCEKMNBLSDNCHQ-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.58
Rot. Bonds4

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

N-(2-chlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155569134) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155569134
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-(2-chlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCC1C(C(=O)Nc2ccccc2Cl)=C(C)NC2=C1C(=O)CCC2
InChIInChI=1S/C20H23ClN2O2/c1-3-7-13-18(20(25)23-15-9-5-4-8-14(15)21)12(2)22-16-10-6-11-17(24)19(13)16/h4-5,8-9,13,22H,3,6-7,10-11H2,1-2H3,(H,23,25)
InChIKeyOCEKMNBLSDNCHQ-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155569134) is N-(2-chlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCCC1C(C(=O)Nc2ccccc2Cl)=C(C)NC2=C1C(=O)CCC2.
What is the InChIKey of N-(2-chlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is OCEKMNBLSDNCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-3-7-13-18(20(25)23-15-9-5-4-8-14(15)21)12(2)22-16-10-6-11-17(24)19(13)16/h4-5,8-9,13,22H,3,6-7,10-11H2,1-2H3,(H,23,25).
What are the key properties of N-(2-chlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-(2-chlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155569134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).