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

C21H25ClN2O2 — CID 155514597

IUPACN-(2-chloro-5-methylphenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCC1C(C(=O)Nc2cc(C)ccc2Cl)=C(C)NC2=C1C(=O)CCC2
InChIInChI=1S/C21H25ClN2O2/c1-4-6-14-19(13(3)23-16-7-5-8-18(25)20(14)16)21(26)24-17-11-12(2)9-10-15(17)22/h9-11,14,23H,4-8H2,1-3H3,(H,24,26)
InChIKeyFNELRMSVIVZRDB-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.89
Rot. Bonds4

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

N-(2-chloro-5-methylphenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155514597) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155514597
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-(2-chloro-5-methylphenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCC1C(C(=O)Nc2cc(C)ccc2Cl)=C(C)NC2=C1C(=O)CCC2
InChIInChI=1S/C21H25ClN2O2/c1-4-6-14-19(13(3)23-16-7-5-8-18(25)20(14)16)21(26)24-17-11-12(2)9-10-15(17)22/h9-11,14,23H,4-8H2,1-3H3,(H,24,26)
InChIKeyFNELRMSVIVZRDB-UHFFFAOYSA-N
XLogP4.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155514597) is N-(2-chloro-5-methylphenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCCC1C(C(=O)Nc2cc(C)ccc2Cl)=C(C)NC2=C1C(=O)CCC2.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is FNELRMSVIVZRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-4-6-14-19(13(3)23-16-7-5-8-18(25)20(14)16)21(26)24-17-11-12(2)9-10-15(17)22/h9-11,14,23H,4-8H2,1-3H3,(H,24,26).
What are the key properties of N-(2-chloro-5-methylphenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-(2-chloro-5-methylphenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-2-methyl-5-oxo-4-propyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155514597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).