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

C31H23N3OS — CID 3828512

IUPAC2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3nc(-c4cccc5ccccc45)cs3)c3ccccc3n2)cc1
InChIInChI=1S/C31H23N3OS/c1-2-20-14-16-22(17-15-20)28-18-26(25-11-5-6-13-27(25)32-28)30(35)34-31-33-29(19-36-31)24-12-7-9-21-8-3-4-10-23(21)24/h3-19H,2H2,1H3,(H,33,34,35)
InChIKeyYSMLKRODGDBEPE-UHFFFAOYSA-N
MW485.61 g/mol
LogP7.99
Rot. Bonds5

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

2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 3828512) has the molecular formula C31H23N3OS and a molecular weight of 485.61 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID3828512
Molecular FormulaC31H23N3OS
Molecular Weight485.61 g/mol
Exact Mass485.16
IUPAC Name2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3nc(-c4cccc5ccccc45)cs3)c3ccccc3n2)cc1
InChIInChI=1S/C31H23N3OS/c1-2-20-14-16-22(17-15-20)28-18-26(25-11-5-6-13-27(25)32-28)30(35)34-31-33-29(19-36-31)24-12-7-9-21-8-3-4-10-23(21)24/h3-19H,2H2,1H3,(H,33,34,35)
InChIKeyYSMLKRODGDBEPE-UHFFFAOYSA-N
XLogP7.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.61
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4649173
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
N-(2,3-dimethylphenyl)-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 5141329
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4641636
2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 4095752
2-[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamoyl]phenyl]benzoic acid
CID 3228346
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4111073
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3517701
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
CID 3257856
2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3558127
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4198104

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 3828512) is 2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide is CCc1ccc(-c2cc(C(=O)Nc3nc(-c4cccc5ccccc45)cs3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is YSMLKRODGDBEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3OS/c1-2-20-14-16-22(17-15-20)28-18-26(25-11-5-6-13-27(25)32-28)30(35)34-31-33-29(19-36-31)24-12-7-9-21-8-3-4-10-23(21)24/h3-19H,2H2,1H3,(H,33,34,35).
What are the key properties of 2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 7.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 3828512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).