N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide

C26H23ClN2O2 — CID 19647615

IUPACN-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C26H23ClN2O2/c1-15-11-17(3)25-21(12-15)22(26(30)28-19-8-5-16(2)23(27)13-19)14-24(29-25)18-6-9-20(31-4)10-7-18/h5-14H,1-4H3,(H,28,30)
InChIKeyMHQIBJNUTGCPHZ-UHFFFAOYSA-N
MW430.94 g/mol
LogP6.74
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide

N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide (PubChem CID 19647615) has the molecular formula C26H23ClN2O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
PubChem CID19647615
Molecular FormulaC26H23ClN2O2
Molecular Weight430.94 g/mol
Exact Mass430.14
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C26H23ClN2O2/c1-15-11-17(3)25-21(12-15)22(26(30)28-19-8-5-16(2)23(27)13-19)14-24(29-25)18-6-9-20(31-4)10-7-18/h5-14H,1-4H3,(H,28,30)
InChIKeyMHQIBJNUTGCPHZ-UHFFFAOYSA-N
XLogP6.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647611
2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779377
2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide
CID 9497835
N-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647635
N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647672
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240
N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648060
N-(4-bromo-3-methylphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647775
N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647725
6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19646657
2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17261439
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647766

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide (CID 19647615) is N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3cc(C)cc(C)c3n2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide?
The InChIKey is MHQIBJNUTGCPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O2/c1-15-11-17(3)25-21(12-15)22(26(30)28-19-8-5-16(2)23(27)13-19)14-24(29-25)18-6-9-20(31-4)10-7-18/h5-14H,1-4H3,(H,28,30).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide?
N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide has a molecular weight of 430.94 g/mol, XLogP of 6.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 19647615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).