2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide

C31H23N3O2S — CID 4649173

IUPAC2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3nc(-c4cccc5ccccc45)cs3)c3ccccc3n2)cc1
InChIInChI=1S/C31H23N3O2S/c1-2-36-22-16-14-21(15-17-22)28-18-26(25-11-5-6-13-27(25)32-28)30(35)34-31-33-29(19-37-31)24-12-7-9-20-8-3-4-10-23(20)24/h3-19H,2H2,1H3,(H,33,34,35)
InChIKeySYAHJTHCYLZSOA-UHFFFAOYSA-N
MW501.61 g/mol
LogP7.83
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide

2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 4649173) has the molecular formula C31H23N3O2S and a molecular weight of 501.61 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID4649173
Molecular FormulaC31H23N3O2S
Molecular Weight501.61 g/mol
Exact Mass501.15
IUPAC Name2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3nc(-c4cccc5ccccc45)cs3)c3ccccc3n2)cc1
InChIInChI=1S/C31H23N3O2S/c1-2-36-22-16-14-21(15-17-22)28-18-26(25-11-5-6-13-27(25)32-28)30(35)34-31-33-29(19-37-31)24-12-7-9-20-8-3-4-10-23(20)24/h3-19H,2H2,1H3,(H,33,34,35)
InChIKeySYAHJTHCYLZSOA-UHFFFAOYSA-N
XLogP7.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.61
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 3828512
2-(4-ethoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 4300165
N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3426683
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4111073
N-(2,6-dichlorophenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4278019
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4155578
N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353296
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-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1186581
2-(4-ethoxyphenyl)-N-(3-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 1358364

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 4649173) is 2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)Nc3nc(-c4cccc5ccccc45)cs3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is SYAHJTHCYLZSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3O2S/c1-2-36-22-16-14-21(15-17-22)28-18-26(25-11-5-6-13-27(25)32-28)30(35)34-31-33-29(19-37-31)24-12-7-9-20-8-3-4-10-23(20)24/h3-19H,2H2,1H3,(H,33,34,35).
What are the key properties of 2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 501.61 g/mol, XLogP of 7.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4649173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).