2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

C27H20FN3O3S — CID 1221040

IUPAC2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)c3ccccc3n2)cc1OC
InChIInChI=1S/C27H20FN3O3S/c1-33-24-12-9-17(13-25(24)34-2)22-14-20(19-5-3-4-6-21(19)29-22)26(32)31-27-30-23(15-35-27)16-7-10-18(28)11-8-16/h3-15H,1-2H3,(H,30,31,32)
InChIKeyKOAVNJNEAORMEB-UHFFFAOYSA-N
MW485.54 g/mol
LogP6.43
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (PubChem CID 1221040) has the molecular formula C27H20FN3O3S and a molecular weight of 485.54 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
PubChem CID1221040
Molecular FormulaC27H20FN3O3S
Molecular Weight485.54 g/mol
Exact Mass485.12
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)c3ccccc3n2)cc1OC
InChIInChI=1S/C27H20FN3O3S/c1-33-24-12-9-17(13-25(24)34-2)22-14-20(19-5-3-4-6-21(19)29-22)26(32)31-27-30-23(15-35-27)16-7-10-18(28)11-8-16/h3-15H,1-2H3,(H,30,31,32)
InChIKeyKOAVNJNEAORMEB-UHFFFAOYSA-N
XLogP6.43
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-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

6-[(6,7-Dimethoxy-4-quinolinyl)oxy]-N-2-thiazolyl-1-naphthalenecarboxamide
CID 24824317
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(3,4-dimethoxyphenyl)-4-quinolinecarboxamide
CID 1014141
4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine
CID 51002785
2-(3,4-dimethoxyphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide
CID 1261465
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2124953
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 2365279
N-(1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2387640
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]benzamide
CID 2471579
N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4064819
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 4158470
N-(4-(2,4-dimethoxyphenyl)thiazol-2-yl)-2-(thiophen-2-yl)quinoline-4-carboxamide
CID 5199132
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 24816733

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (CID 1221040) is 2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The InChIKey is KOAVNJNEAORMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3O3S/c1-33-24-12-9-17(13-25(24)34-2)22-14-20(19-5-3-4-6-21(19)29-22)26(32)31-27-30-23(15-35-27)16-7-10-18(28)11-8-16/h3-15H,1-2H3,(H,30,31,32).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 1221040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).