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

C21H25ClN2O2 — CID 155522979

IUPACN-(2-chlorophenyl)-2-methyl-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2Cl)C(CC(C)C)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H25ClN2O2/c1-12(2)11-14-19(21(26)24-16-8-5-4-7-15(16)22)13(3)23-17-9-6-10-18(25)20(14)17/h4-5,7-8,12,14,23H,6,9-11H2,1-3H3,(H,24,26)
InChIKeyBUOFNCUBSXQLEX-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.83
Rot. Bonds4

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

N-(2-chlorophenyl)-2-methyl-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155522979) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methyl-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methyl-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155522979
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-(2-chlorophenyl)-2-methyl-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2Cl)C(CC(C)C)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H25ClN2O2/c1-12(2)11-14-19(21(26)24-16-8-5-4-7-15(16)22)13(3)23-17-9-6-10-18(25)20(14)17/h4-5,7-8,12,14,23H,6,9-11H2,1-3H3,(H,24,26)
InChIKeyBUOFNCUBSXQLEX-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
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-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-methyl-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155522979) is N-(2-chlorophenyl)-2-methyl-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-methyl-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-methyl-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2Cl)C(CC(C)C)C2=C(CCCC2=O)N1.
What is the InChIKey of N-(2-chlorophenyl)-2-methyl-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is BUOFNCUBSXQLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-12(2)11-14-19(21(26)24-16-8-5-4-7-15(16)22)13(3)23-17-9-6-10-18(25)20(14)17/h4-5,7-8,12,14,23H,6,9-11H2,1-3H3,(H,24,26).
What are the key properties of N-(2-chlorophenyl)-2-methyl-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-(2-chlorophenyl)-2-methyl-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 4.83, 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-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155522979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).