N-(3,4-dichlorophenyl)-2,2,4,6,8-pentamethylquinoline-1-carboxamide

C21H22Cl2N2O — CID 22330359

IUPACN-(3,4-dichlorophenyl)-2,2,4,6,8-pentamethylquinoline-1-carboxamide
SMILESCC1=CC(C)(C)N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2c(C)cc(C)cc21
InChIInChI=1S/C21H22Cl2N2O/c1-12-8-13(2)19-16(9-12)14(3)11-21(4,5)25(19)20(26)24-15-6-7-17(22)18(23)10-15/h6-11H,1-5H3,(H,24,26)
InChIKeyANWFSXCVGMFVHW-UHFFFAOYSA-N
MW389.33 g/mol
LogP6.84
Rot. Bonds1

About N-(3,4-dichlorophenyl)-2,2,4,6,8-pentamethylquinoline-1-carboxamide

N-(3,4-dichlorophenyl)-2,2,4,6,8-pentamethylquinoline-1-carboxamide (PubChem CID 22330359) has the molecular formula C21H22Cl2N2O and a molecular weight of 389.33 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2,2,4,6,8-pentamethylquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2,2,4,6,8-pentamethylquinoline-1-carboxamide
PubChem CID22330359
Molecular FormulaC21H22Cl2N2O
Molecular Weight389.33 g/mol
Exact Mass388.11
IUPAC NameN-(3,4-dichlorophenyl)-2,2,4,6,8-pentamethylquinoline-1-carboxamide
SMILESCC1=CC(C)(C)N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2c(C)cc(C)cc21
InChIInChI=1S/C21H22Cl2N2O/c1-12-8-13(2)19-16(9-12)14(3)11-21(4,5)25(19)20(26)24-15-6-7-17(22)18(23)10-15/h6-11H,1-5H3,(H,24,26)
InChIKeyANWFSXCVGMFVHW-UHFFFAOYSA-N
XLogP6.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.33
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide
CID 5238686
N-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide
CID 737936
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide
CID 134086769
S-methyl N-(3,4-dichlorophenyl)carbamothioate
CID 23273770
N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 17171501
N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 102934811
N-(3,4-dichlorophenyl)-5-methylbenzotriazole-1-carboxamide
CID 27077717
N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 80703460
3-(N-acetyl-2,4,6-trimethylanilino)-N-(3,4-dichlorophenyl)propanamide
CID 113126107
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2,2,4,6,8-pentamethylquinoline-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2,2,4,6,8-pentamethylquinoline-1-carboxamide (CID 22330359) is N-(3,4-dichlorophenyl)-2,2,4,6,8-pentamethylquinoline-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2,2,4,6,8-pentamethylquinoline-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2,2,4,6,8-pentamethylquinoline-1-carboxamide is CC1=CC(C)(C)N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2c(C)cc(C)cc21.
What is the InChIKey of N-(3,4-dichlorophenyl)-2,2,4,6,8-pentamethylquinoline-1-carboxamide?
The InChIKey is ANWFSXCVGMFVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O/c1-12-8-13(2)19-16(9-12)14(3)11-21(4,5)25(19)20(26)24-15-6-7-17(22)18(23)10-15/h6-11H,1-5H3,(H,24,26).
What are the key properties of N-(3,4-dichlorophenyl)-2,2,4,6,8-pentamethylquinoline-1-carboxamide?
N-(3,4-dichlorophenyl)-2,2,4,6,8-pentamethylquinoline-1-carboxamide has a molecular weight of 389.33 g/mol, XLogP of 6.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2,2,4,6,8-pentamethylquinoline-1-carboxamide is sourced from PubChem (CID 22330359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).