(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone

C22H29N3O2 — CID 131657267

IUPAC(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone
SMILESCC(C)N1CCOCC2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1
InChIInChI=1S/C22H29N3O2/c1-17(2)24-10-11-27-16-22(14-24)8-5-9-25(15-22)21(26)19-12-18-6-3-4-7-20(18)23-13-19/h3-4,6-7,12-13,17H,5,8-11,14-16H2,1-2H3
InChIKeyHZQCTQPVIPUIEW-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.20
Rot. Bonds2

About (11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone

(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone (PubChem CID 131657267) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone.

Molecular Properties

Compound Name(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone
PubChem CID131657267
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone
SMILESCC(C)N1CCOCC2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1
InChIInChI=1S/C22H29N3O2/c1-17(2)24-10-11-27-16-22(14-24)8-5-9-25(15-22)21(26)19-12-18-6-3-4-7-20(18)23-13-19/h3-4,6-7,12-13,17H,5,8-11,14-16H2,1-2H3
InChIKeyHZQCTQPVIPUIEW-UHFFFAOYSA-N
XLogP3.20
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone with MolForge

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Related Compounds

[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 97494398
1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155855375
(3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072732
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
CID 56890746
[(2R)-oxolan-2-yl]-[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 124822752
[(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97395128
[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone
CID 45200874
[(4aS,8aS)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-quinolin-3-ylmethanone
CID 97363098
[(3S,5R)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97494033
pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072843
[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(6-methyl-3-pyridinyl)methanone
CID 134072768
1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398083

Frequently Asked Questions

What is the IUPAC name of (11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone?
The IUPAC name of (11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone (CID 131657267) is (11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone.
What is the SMILES notation for (11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone?
The canonical SMILES for (11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone is CC(C)N1CCOCC2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1.
What is the InChIKey of (11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone?
The InChIKey is HZQCTQPVIPUIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17(2)24-10-11-27-16-22(14-24)8-5-9-25(15-22)21(26)19-12-18-6-3-4-7-20(18)23-13-19/h3-4,6-7,12-13,17H,5,8-11,14-16H2,1-2H3.
What are the key properties of (11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone?
(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone has a molecular weight of 367.49 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone is sourced from PubChem (CID 131657267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).