N-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide

C20H20Cl2N2O2 — CID 5238686

IUPACN-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide
SMILESCOc1ccc2c(c1)N(C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)(C)C=C2C
InChIInChI=1S/C20H20Cl2N2O2/c1-12-11-20(2,3)24(18-10-14(26-4)6-7-15(12)18)19(25)23-13-5-8-16(21)17(22)9-13/h5-11H,1-4H3,(H,23,25)
InChIKeyRIGSCQWAWIRFFV-UHFFFAOYSA-N
MW391.30 g/mol
LogP6.24
Rot. Bonds2

About N-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide

N-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide (PubChem CID 5238686) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide
PubChem CID5238686
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC NameN-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide
SMILESCOc1ccc2c(c1)N(C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)(C)C=C2C
InChIInChI=1S/C20H20Cl2N2O2/c1-12-11-20(2,3)24(18-10-14(26-4)6-7-15(12)18)19(25)23-13-5-8-16(21)17(22)9-13/h5-11H,1-4H3,(H,23,25)
InChIKeyRIGSCQWAWIRFFV-UHFFFAOYSA-N
XLogP6.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.30
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorophenyl)-2,2,4,6,8-pentamethylquinoline-1-carboxamide
CID 22330359
N-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide
CID 737936
(3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394737
1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea
CID 139743679
N-(3,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335202
(4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide
CID 6554401
N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039718
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
(E)-3-(3,4-dichloroanilino)-1-(4-methoxyphenyl)but-2-en-1-one
CID 5408001
N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide
CID 19659942
N-(3,4-dichlorophenyl)-2-hydroxy-6-methoxybenzamide
CID 4130040

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide (CID 5238686) is N-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide is COc1ccc2c(c1)N(C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)(C)C=C2C.
What is the InChIKey of N-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide?
The InChIKey is RIGSCQWAWIRFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-12-11-20(2,3)24(18-10-14(26-4)6-7-15(12)18)19(25)23-13-5-8-16(21)17(22)9-13/h5-11H,1-4H3,(H,23,25).
What are the key properties of N-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide?
N-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide has a molecular weight of 391.30 g/mol, XLogP of 6.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-7-methoxy-2,2,4-trimethylquinoline-1-carboxamide is sourced from PubChem (CID 5238686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).