(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone

C21H26N2O2 — CID 134073962

IUPAC(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone
SMILESCC(C)C1COC2(CCCN(C(=O)c3ccc4ncccc4c3)C2)C1
InChIInChI=1S/C21H26N2O2/c1-15(2)18-12-21(25-13-18)8-4-10-23(14-21)20(24)17-6-7-19-16(11-17)5-3-9-22-19/h3,5-7,9,11,15,18H,4,8,10,12-14H2,1-2H3
InChIKeyQNFHGIQDLXAZAE-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.90
Rot. Bonds2

About (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone

(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone (PubChem CID 134073962) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone.

Molecular Properties

Compound Name(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone
PubChem CID134073962
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone
SMILESCC(C)C1COC2(CCCN(C(=O)c3ccc4ncccc4c3)C2)C1
InChIInChI=1S/C21H26N2O2/c1-15(2)18-12-21(25-13-18)8-4-10-23(14-21)20(24)17-6-7-19-16(11-17)5-3-9-22-19/h3,5-7,9,11,15,18H,4,8,10,12-14H2,1-2H3
InChIKeyQNFHGIQDLXAZAE-UHFFFAOYSA-N
XLogP3.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone
CID 97419649
[(3R,5S)-3-ethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone;2,2,2-trifluoroacetic acid
CID 155840880
[(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97395128
[(7S)-7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-6-ylmethanone
CID 124815737
[(3S,5R)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97494033
(6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495370
[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone
CID 97488632
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
(2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
CID 125009721
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone
CID 135108033
3H-benzimidazol-5-yl-[3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 134072574
(2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
CID 124978041

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone?
The IUPAC name of (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone (CID 134073962) is (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone.
What is the SMILES notation for (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone?
The canonical SMILES for (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone is CC(C)C1COC2(CCCN(C(=O)c3ccc4ncccc4c3)C2)C1.
What is the InChIKey of (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone?
The InChIKey is QNFHGIQDLXAZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(2)18-12-21(25-13-18)8-4-10-23(14-21)20(24)17-6-7-19-16(11-17)5-3-9-22-19/h3,5-7,9,11,15,18H,4,8,10,12-14H2,1-2H3.
What are the key properties of (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone?
(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone has a molecular weight of 338.45 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone is sourced from PubChem (CID 134073962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).