6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one

C20H24N2O3 — CID 121499593

IUPAC6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3CCC4(CCOCC4)CC3)c2c1
InChIInChI=1S/C20H24N2O3/c1-14-2-3-17-15(12-14)16(13-18(23)21-17)19(24)22-8-4-20(5-9-22)6-10-25-11-7-20/h2-3,12-13H,4-11H2,1H3,(H,21,23)
InChIKeyVFKPODQVNMDXRD-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.87
Rot. Bonds1

About 6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one

6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one (PubChem CID 121499593) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one
PubChem CID121499593
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3CCC4(CCOCC4)CC3)c2c1
InChIInChI=1S/C20H24N2O3/c1-14-2-3-17-15(12-14)16(13-18(23)21-17)19(24)22-8-4-20(5-9-22)6-10-25-11-7-20/h2-3,12-13H,4-11H2,1H3,(H,21,23)
InChIKeyVFKPODQVNMDXRD-UHFFFAOYSA-N
XLogP2.87
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one with MolForge

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Related Compounds

(3aS,6aR)-5-(6-methyl-2-oxo-1H-quinoline-4-carbonyl)-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
CID 164692286
6-methyl-4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-2-one
CID 135107759
1-(6-fluoro-2-oxo-1H-quinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 56861198
4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 72879693
ethane;6-methyl-4-morpholin-4-yl-1H-quinolin-2-one
CID 145235325
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
6-methyl-4-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-quinolin-2-one
CID 170505632
4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 134701632
6-bromo-4-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 53367318
4-[8-(3,4-difluorophenyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]-6-methyl-1H-quinolin-2-one
CID 167441147
6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 95722562
methyl (2S)-1-(6-methyl-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylate
CID 95123862

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one (CID 121499593) is 6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)cc(C(=O)N3CCC4(CCOCC4)CC3)c2c1.
What is the InChIKey of 6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one?
The InChIKey is VFKPODQVNMDXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-2-3-17-15(12-14)16(13-18(23)21-17)19(24)22-8-4-20(5-9-22)6-10-25-11-7-20/h2-3,12-13H,4-11H2,1H3,(H,21,23).
What are the key properties of 6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one?
6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one has a molecular weight of 340.42 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 121499593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).