N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide

C23H20N2O2S — CID 19647725

IUPACN-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccs3)nc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C23H20N2O2S/c1-14-11-15(2)22-18(12-14)19(13-20(25-22)21-5-4-10-28-21)23(26)24-16-6-8-17(27-3)9-7-16/h4-13H,1-3H3,(H,24,26)
InChIKeyQKYQRZOOXJNNFG-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.84
Rot. Bonds4

About N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide

N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 19647725) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID19647725
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccs3)nc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C23H20N2O2S/c1-14-11-15(2)22-18(12-14)19(13-20(25-22)21-5-4-10-28-21)23(26)24-16-6-8-17(27-3)9-7-16/h4-13H,1-3H3,(H,24,26)
InChIKeyQKYQRZOOXJNNFG-UHFFFAOYSA-N
XLogP5.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647708
6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647714
pentyl 4-[(6,8-dimethyl-2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 19647693
6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 17260002
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 67203917
(2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate
CID 19648279
N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647736
N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647615
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647611
N-(4-bromo-3-methylphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647775
ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate
CID 19647745
2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide
CID 9497835

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide (CID 19647725) is N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide is COc1ccc(NC(=O)c2cc(-c3cccs3)nc3c(C)cc(C)cc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is QKYQRZOOXJNNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-14-11-15(2)22-18(12-14)19(13-20(25-22)21-5-4-10-28-21)23(26)24-16-6-8-17(27-3)9-7-16/h4-13H,1-3H3,(H,24,26).
What are the key properties of N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 19647725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).