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

C27H20ClN3O3S — CID 2162604

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c3ccccc3n2)cc1OC
InChIInChI=1S/C27H20ClN3O3S/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)
InChIKeySZEPYCUUIRTDRP-UHFFFAOYSA-N
MW502.00 g/mol
LogP6.95
Rot. Bonds6

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

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 2162604) has the molecular formula C27H20ClN3O3S and a molecular weight of 502.00 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID2162604
Molecular FormulaC27H20ClN3O3S
Molecular Weight502.00 g/mol
Exact Mass501.09
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c3ccccc3n2)cc1OC
InChIInChI=1S/C27H20ClN3O3S/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)
InChIKeySZEPYCUUIRTDRP-UHFFFAOYSA-N
XLogP6.95
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.00
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4617193
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 23849618
2,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1259227
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4111073
2-(3,4-dichlorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3361056
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 112795524
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 5151402
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 55908058
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (CID 2162604) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c3ccccc3n2)cc1OC.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is SZEPYCUUIRTDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3O3S/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 N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 502.00 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2162604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).