1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one

C24H31N3O3 — CID 131669561

IUPAC1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one
SMILESCn1cc(C(=O)N2CCOC3(CCCCC3N3CCCC3)C2)c(=O)c2ccccc21
InChIInChI=1S/C24H31N3O3/c1-25-16-19(22(28)18-8-2-3-9-20(18)25)23(29)27-14-15-30-24(17-27)11-5-4-10-21(24)26-12-6-7-13-26/h2-3,8-9,16,21H,4-7,10-15,17H2,1H3
InChIKeyYGJZWUDEQKDDHB-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.79
Rot. Bonds2

About 1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one

1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one (PubChem CID 131669561) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one.

Molecular Properties

Compound Name1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one
PubChem CID131669561
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one
SMILESCn1cc(C(=O)N2CCOC3(CCCCC3N3CCCC3)C2)c(=O)c2ccccc21
InChIInChI=1S/C24H31N3O3/c1-25-16-19(22(28)18-8-2-3-9-20(18)25)23(29)27-14-15-30-24(17-27)11-5-4-10-21(24)26-12-6-7-13-26/h2-3,8-9,16,21H,4-7,10-15,17H2,1H3
InChIKeyYGJZWUDEQKDDHB-UHFFFAOYSA-N
XLogP2.79
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carbonyl]-1-methylquinolin-4-one
CID 91840033
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone
CID 164696777
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone
CID 107406447
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one
CID 30131761
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
(1S,5R)-4-(1-methylindole-3-carbonyl)-12-oxa-4,8-diazatricyclo[6.4.0.01,5]dodecan-7-one
CID 154819633
spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane]
CID 45098810
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
3-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]-1-methylquinolin-4-one
CID 25449184

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one?
The IUPAC name of 1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one (CID 131669561) is 1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one.
What is the SMILES notation for 1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one?
The canonical SMILES for 1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one is Cn1cc(C(=O)N2CCOC3(CCCCC3N3CCCC3)C2)c(=O)c2ccccc21.
What is the InChIKey of 1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one?
The InChIKey is YGJZWUDEQKDDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-25-16-19(22(28)18-8-2-3-9-20(18)25)23(29)27-14-15-30-24(17-27)11-5-4-10-21(24)26-12-6-7-13-26/h2-3,8-9,16,21H,4-7,10-15,17H2,1H3.
What are the key properties of 1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one?
1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one has a molecular weight of 409.53 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one is sourced from PubChem (CID 131669561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).