2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

C33H25N3O2S — CID 3308982

IUPAC2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)Nc3nc(-c4ccc(-c5ccccc5)cc4)cs3)c2C)cc1
InChIInChI=1S/C33H25N3O2S/c1-21-30(27-10-6-7-11-28(27)34-31(21)25-16-18-26(38-2)19-17-25)32(37)36-33-35-29(20-39-33)24-14-12-23(13-15-24)22-8-4-3-5-9-22/h3-20H,1-2H3,(H,35,36,37)
InChIKeyGGDLWIMXQGEUKA-UHFFFAOYSA-N
MW527.65 g/mol
LogP8.26
Rot. Bonds6

About 2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (PubChem CID 3308982) has the molecular formula C33H25N3O2S and a molecular weight of 527.65 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
PubChem CID3308982
Molecular FormulaC33H25N3O2S
Molecular Weight527.65 g/mol
Exact Mass527.17
IUPAC Name2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)Nc3nc(-c4ccc(-c5ccccc5)cc4)cs3)c2C)cc1
InChIInChI=1S/C33H25N3O2S/c1-21-30(27-10-6-7-11-28(27)34-31(21)25-16-18-26(38-2)19-17-25)32(37)36-33-35-29(20-39-33)24-14-12-23(13-15-24)22-8-4-3-5-9-22/h3-20H,1-2H3,(H,35,36,37)
InChIKeyGGDLWIMXQGEUKA-UHFFFAOYSA-N
XLogP8.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.65
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 5196863
2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5142369
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide
CID 3624127
3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 3497101
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 4118726
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5142108
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971
2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4052157
2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4115326
methyl 4-methyl-2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 4536194
N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3681950
N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 1291424

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (CID 3308982) is 2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is COc1ccc(-c2nc3ccccc3c(C(=O)Nc3nc(-c4ccc(-c5ccccc5)cc4)cs3)c2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The InChIKey is GGDLWIMXQGEUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3O2S/c1-21-30(27-10-6-7-11-28(27)34-31(21)25-16-18-26(38-2)19-17-25)32(37)36-33-35-29(20-39-33)24-14-12-23(13-15-24)22-8-4-3-5-9-22/h3-20H,1-2H3,(H,35,36,37).
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide has a molecular weight of 527.65 g/mol, XLogP of 8.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 3308982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).