8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide

C24H22N4O2S — CID 89034067

IUPAC8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2cccc(-c3ccc(CN4CCOCC4)cc3)c2n1
InChIInChI=1S/C24H22N4O2S/c29-23(27-24-25-10-15-31-24)21-9-8-19-2-1-3-20(22(19)26-21)18-6-4-17(5-7-18)16-28-11-13-30-14-12-28/h1-10,15H,11-14,16H2,(H,25,27,29)
InChIKeyPRSJBZAKUQMCEB-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.44
Rot. Bonds5

About 8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide

8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide (PubChem CID 89034067) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
PubChem CID89034067
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2cccc(-c3ccc(CN4CCOCC4)cc3)c2n1
InChIInChI=1S/C24H22N4O2S/c29-23(27-24-25-10-15-31-24)21-9-8-19-2-1-3-20(22(19)26-21)18-6-4-17(5-7-18)16-28-11-13-30-14-12-28/h1-10,15H,11-14,16H2,(H,25,27,29)
InChIKeyPRSJBZAKUQMCEB-UHFFFAOYSA-N
XLogP4.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 87282886
N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 89033948
2-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine
CID 158681131
N-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide
CID 70853008
N-[4-(pyrrolidin-1-ylmethyl)phenyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 70853124
2-[4-[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 46868083
N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70853123
N-[4-(morpholin-4-ylmethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 86911319
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 4796771
2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119832087
2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidine-4-carboxylic acid
CID 171775851
6-methyl-2-morpholin-4-yl-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 56731273

Frequently Asked Questions

What is the IUPAC name of 8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The IUPAC name of 8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide (CID 89034067) is 8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for 8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The canonical SMILES for 8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide is O=C(Nc1nccs1)c1ccc2cccc(-c3ccc(CN4CCOCC4)cc3)c2n1.
What is the InChIKey of 8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The InChIKey is PRSJBZAKUQMCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c29-23(27-24-25-10-15-31-24)21-9-8-19-2-1-3-20(22(19)26-21)18-6-4-17(5-7-18)16-28-11-13-30-14-12-28/h1-10,15H,11-14,16H2,(H,25,27,29).
What are the key properties of 8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 89034067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).