N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide

C23H18BrClN2OS — CID 19647736

IUPACN-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(Br)c(Cl)c3C)c2c1
InChIInChI=1S/C23H18BrClN2OS/c1-12-9-13(2)22-15(10-12)16(11-19(26-22)20-5-4-8-29-20)23(28)27-18-7-6-17(24)21(25)14(18)3/h4-11H,1-3H3,(H,27,28)
InChIKeyPKEWPXGEHHSQOG-UHFFFAOYSA-N
MW485.83 g/mol
LogP7.56
Rot. Bonds3

About N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide

N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 19647736) has the molecular formula C23H18BrClN2OS and a molecular weight of 485.83 g/mol. Its IUPAC name is N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID19647736
Molecular FormulaC23H18BrClN2OS
Molecular Weight485.83 g/mol
Exact Mass484.00
IUPAC NameN-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(Br)c(Cl)c3C)c2c1
InChIInChI=1S/C23H18BrClN2OS/c1-12-9-13(2)22-15(10-12)16(11-19(26-22)20-5-4-8-29-20)23(28)27-18-7-6-17(24)21(25)14(18)3/h4-11H,1-3H3,(H,27,28)
InChIKeyPKEWPXGEHHSQOG-UHFFFAOYSA-N
XLogP7.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.83
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647714
6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 17260002
N-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647708
N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647725
N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647594
7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 3827571
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647635
N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 67203917
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 5026122
6-bromo-N-(4-bromo-2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 4595679
pentyl 4-[(6,8-dimethyl-2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 19647693

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide (CID 19647736) is N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide is Cc1cc(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(Br)c(Cl)c3C)c2c1.
What is the InChIKey of N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is PKEWPXGEHHSQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrClN2OS/c1-12-9-13(2)22-15(10-12)16(11-19(26-22)20-5-4-8-29-20)23(28)27-18-7-6-17(24)21(25)14(18)3/h4-11H,1-3H3,(H,27,28).
What are the key properties of N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 485.83 g/mol, XLogP of 7.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 19647736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).