N-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide

C20H21ClN2O — CID 737936

IUPACN-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide
SMILESCC1=CC(C)(C)N(C(=O)Nc2cccc(Cl)c2)c2ccc(C)cc21
InChIInChI=1S/C20H21ClN2O/c1-13-8-9-18-17(10-13)14(2)12-20(3,4)23(18)19(24)22-16-7-5-6-15(21)11-16/h5-12H,1-4H3,(H,22,24)
InChIKeyLZLGLMIWGHIOBG-UHFFFAOYSA-N
MW340.85 g/mol
LogP5.88
Rot. Bonds1

About N-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide

N-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide (PubChem CID 737936) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide
PubChem CID737936
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC NameN-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide
SMILESCC1=CC(C)(C)N(C(=O)Nc2cccc(Cl)c2)c2ccc(C)cc21
InChIInChI=1S/C20H21ClN2O/c1-13-8-9-18-17(10-13)14(2)12-20(3,4)23(18)19(24)22-16-7-5-6-15(21)11-16/h5-12H,1-4H3,(H,22,24)
InChIKeyLZLGLMIWGHIOBG-UHFFFAOYSA-N
XLogP5.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.85
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide (CID 737936) is N-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide is CC1=CC(C)(C)N(C(=O)Nc2cccc(Cl)c2)c2ccc(C)cc21.
What is the InChIKey of N-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide?
The InChIKey is LZLGLMIWGHIOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-13-8-9-18-17(10-13)14(2)12-20(3,4)23(18)19(24)22-16-7-5-6-15(21)11-16/h5-12H,1-4H3,(H,22,24).
What are the key properties of N-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide?
N-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide has a molecular weight of 340.85 g/mol, XLogP of 5.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide is sourced from PubChem (CID 737936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).