(2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone

C21H26N2O2 — CID 74249309

IUPAC(2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone
SMILESCc1cc(C(=O)N2CCCC3(CCCO3)CC2)c2cccc(C)c2n1
InChIInChI=1S/C21H26N2O2/c1-15-6-3-7-17-18(14-16(2)22-19(15)17)20(24)23-11-4-8-21(10-12-23)9-5-13-25-21/h3,6-7,14H,4-5,8-13H2,1-2H3
InChIKeySQEUVBXIOFCHJI-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.03
Rot. Bonds1

About (2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone

(2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone (PubChem CID 74249309) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone.

Molecular Properties

Compound Name(2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone
PubChem CID74249309
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone
SMILESCc1cc(C(=O)N2CCCC3(CCCO3)CC2)c2cccc(C)c2n1
InChIInChI=1S/C21H26N2O2/c1-15-6-3-7-17-18(14-16(2)22-19(15)17)20(24)23-11-4-8-21(10-12-23)9-5-13-25-21/h3,6-7,14H,4-5,8-13H2,1-2H3
InChIKeySQEUVBXIOFCHJI-UHFFFAOYSA-N
XLogP4.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986
(2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46291536
(2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 96572515
(6-methyl-2-pyridinyl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 56880944
1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone
CID 70719076
piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone
CID 46291566
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone
CID 46985286
[8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 35330795
(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-(1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 56873874
(2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 96575693
2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 70730012
(1S,5R)-3-(2,8-dimethylquinoline-4-carbonyl)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70749102

Frequently Asked Questions

What is the IUPAC name of (2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone?
The IUPAC name of (2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone (CID 74249309) is (2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone.
What is the SMILES notation for (2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone?
The canonical SMILES for (2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone is Cc1cc(C(=O)N2CCCC3(CCCO3)CC2)c2cccc(C)c2n1.
What is the InChIKey of (2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone?
The InChIKey is SQEUVBXIOFCHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-6-3-7-17-18(14-16(2)22-19(15)17)20(24)23-11-4-8-21(10-12-23)9-5-13-25-21/h3,6-7,14H,4-5,8-13H2,1-2H3.
What are the key properties of (2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone?
(2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone is sourced from PubChem (CID 74249309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).