N-[5-[[2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide

C23H27N5OS — CID 162646065

IUPACN-[5-[[2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CCN(c4cc(C)nc5ccccc45)C3)C2)s1
InChIInChI=1S/C23H27N5OS/c1-16-11-21(19-5-3-4-6-20(19)25-16)28-10-8-23(15-28)7-9-27(14-23)13-18-12-24-22(30-18)26-17(2)29/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,24,26,29)
InChIKeyFUYGWQMTUVYXTP-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.06
Rot. Bonds4

About N-[5-[[2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 162646065) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[5-[[2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID162646065
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC NameN-[5-[[2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CCN(c4cc(C)nc5ccccc45)C3)C2)s1
InChIInChI=1S/C23H27N5OS/c1-16-11-21(19-5-3-4-6-20(19)25-16)28-10-8-23(15-28)7-9-27(14-23)13-18-12-24-22(30-18)26-17(2)29/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,24,26,29)
InChIKeyFUYGWQMTUVYXTP-UHFFFAOYSA-N
XLogP4.06
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 162646065) is N-[5-[[2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC3(CCN(c4cc(C)nc5ccccc45)C3)C2)s1.
What is the InChIKey of N-[5-[[2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FUYGWQMTUVYXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-16-11-21(19-5-3-4-6-20(19)25-16)28-10-8-23(15-28)7-9-27(14-23)13-18-12-24-22(30-18)26-17(2)29/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,24,26,29).
What are the key properties of N-[5-[[2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 421.57 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 162646065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).