1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one

C20H26N2O4 — CID 139005822

IUPAC1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one
SMILESCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CC2(CCOCC2)O1
InChIInChI=1S/C20H26N2O4/c1-14-12-22(13-20(26-14)7-9-25-10-8-20)19(24)16-3-5-17-15(11-16)4-6-18(23)21(17)2/h3,5,11,14H,4,6-10,12-13H2,1-2H3
InChIKeyILLRQPPAJSGAGW-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.01
Rot. Bonds1

About 1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one

1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one (PubChem CID 139005822) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one
PubChem CID139005822
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one
SMILESCC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CC2(CCOCC2)O1
InChIInChI=1S/C20H26N2O4/c1-14-12-22(13-20(26-14)7-9-25-10-8-20)19(24)16-3-5-17-15(11-16)4-6-18(23)21(17)2/h3,5,11,14H,4,6-10,12-13H2,1-2H3
InChIKeyILLRQPPAJSGAGW-UHFFFAOYSA-N
XLogP2.01
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

1-methyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 52986183
4-methyl-3-[4-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]-1H-imidazol-2-one
CID 139005794
1-methyl-6-(1-methylcyclopropanecarbonyl)-3,4-dihydroquinolin-2-one
CID 82293701
6-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 110801759
[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl]methanone
CID 171359325
6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116921112
4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812476
6-[4-(3,3-dimethylbutanoyl)piperazine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 110803968
N-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide
CID 110812477
6-[4-(2,2-dimethylpropanoyl)-1,4-diazepane-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 110807340
1-methyl-6-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 110809890
1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one
CID 82284659

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one (CID 139005822) is 1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one is CC1CN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CC2(CCOCC2)O1.
What is the InChIKey of 1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one?
The InChIKey is ILLRQPPAJSGAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14-12-22(13-20(26-14)7-9-25-10-8-20)19(24)16-3-5-17-15(11-16)4-6-18(23)21(17)2/h3,5,11,14H,4,6-10,12-13H2,1-2H3.
What are the key properties of 1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one?
1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one has a molecular weight of 358.44 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 139005822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).