1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

C18H20N6O2 — CID 56745798

IUPAC1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCc1ccc2cc(C3(O)CCN(C(=O)Cn4cnnn4)CC3)ccc2n1
InChIInChI=1S/C18H20N6O2/c1-13-2-3-14-10-15(4-5-16(14)20-13)18(26)6-8-23(9-7-18)17(25)11-24-12-19-21-22-24/h2-5,10,12,26H,6-9,11H2,1H3
InChIKeyRRZAAFNXNKEDRK-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.04
Rot. Bonds3

About 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 56745798) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID56745798
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCc1ccc2cc(C3(O)CCN(C(=O)Cn4cnnn4)CC3)ccc2n1
InChIInChI=1S/C18H20N6O2/c1-13-2-3-14-10-15(4-5-16(14)20-13)18(26)6-8-23(9-7-18)17(25)11-24-12-19-21-22-24/h2-5,10,12,26H,6-9,11H2,1H3
InChIKeyRRZAAFNXNKEDRK-UHFFFAOYSA-N
XLogP1.04
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-Methylquinolin-6-yl)-1-(pyrrolidin-1-ylacetyl)piperidin-4-ol
CID 56753212
2-(2,4-Difluorophenyl)-1,1-difluoro-1-(6-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol
CID 71139333
2-(2,4-Difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[6-(trifluoromethyl)quinolin-2-yl]propan-2-ol
CID 71499106
1-[6-(Difluoromethyl)quinolin-2-yl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
CID 71499132
2-(2,4-Difluorophenyl)-1,1-difluoro-1-(8-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol
CID 132014112
2-(2,4-Difluorophenyl)-1,1-difluoro-1-(6-methylquinolin-2-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 132059536
(E)-N-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-(6-methylquinolin-2-yl)prop-2-enamide
CID 167442148
N-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-(6-methylquinolin-2-yl)prop-2-enamide
CID 167442154
2-(2,4-Difluorophenyl)-1,1-difluoro-1-(6-propylquinolin-2-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 162567636
4-(2-methylquinolin-6-yl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]piperidin-4-ol
CID 56739843
4-(2-methylquinolin-6-yl)-1-[3-(1H-tetrazol-1-yl)propanoyl]piperidin-4-ol
CID 56745418
4-(2-methylquinolin-6-yl)-1-[3-(1H-pyrazol-1-yl)propanoyl]piperidin-4-ol
CID 56745526

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 56745798) is 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is Cc1ccc2cc(C3(O)CCN(C(=O)Cn4cnnn4)CC3)ccc2n1.
What is the InChIKey of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is RRZAAFNXNKEDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-13-2-3-14-10-15(4-5-16(14)20-13)18(26)6-8-23(9-7-18)17(25)11-24-12-19-21-22-24/h2-5,10,12,26H,6-9,11H2,1H3.
What are the key properties of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 352.40 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 56745798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).