(6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

C22H25N3O2 — CID 97495568

IUPAC(6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESC=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C22H25N3O2/c1-2-13-25-20(26)7-3-10-22(25)11-5-14-24(16-22)21(27)18-8-9-19-17(15-18)6-4-12-23-19/h2,4,6,8-9,12,15H,1,3,5,7,10-11,13-14,16H2/t22-/m1/s1
InChIKeyPTZPNQGFTBQEJM-JOCHJYFZSA-N
MW363.46 g/mol
LogP3.41
Rot. Bonds3

About (6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

(6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 97495568) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID97495568
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESC=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C22H25N3O2/c1-2-13-25-20(26)7-3-10-22(25)11-5-14-24(16-22)21(27)18-8-9-19-17(15-18)6-4-12-23-19/h2,4,6,8-9,12,15H,1,3,5,7,10-11,13-14,16H2/t22-/m1/s1
InChIKeyPTZPNQGFTBQEJM-JOCHJYFZSA-N
XLogP3.41
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495370
8-(3-chlorobenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131644825
(6R)-8-(3-methoxybenzoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495563
8-(1H-indole-5-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131655985
8-[4-(dimethylamino)benzoyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 134070533
(6S)-8-(5-methylpyrazine-2-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97398639
(6S)-8-(3-phenylpropanoyl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97495559
N-benzyl-2-oxo-1-prop-2-enyl-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 134070535
(6S)-1-ethyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495441
8-(3-chlorobenzoyl)-1-ethyl-1,8-diazaspiro[5.5]undecan-2-one
CID 134072985
(6R)-8-[2-(4-methoxyphenyl)acetyl]-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
CID 97398658
[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone
CID 97419649

Frequently Asked Questions

What is the IUPAC name of (6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (CID 97495568) is (6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is C=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc3ncccc3c1)C2.
What is the InChIKey of (6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is PTZPNQGFTBQEJM-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-13-25-20(26)7-3-10-22(25)11-5-14-24(16-22)21(27)18-8-9-19-17(15-18)6-4-12-23-19/h2,4,6,8-9,12,15H,1,3,5,7,10-11,13-14,16H2/t22-/m1/s1.
What are the key properties of (6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
(6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97495568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).