(6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

C20H23N3O2 — CID 97495371

IUPAC(6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc3ccccc3n1)C2
InChIInChI=1S/C20H23N3O2/c1-22-18(24)8-4-11-20(22)12-5-13-23(14-20)19(25)17-10-9-15-6-2-3-7-16(15)21-17/h2-3,6-7,9-10H,4-5,8,11-14H2,1H3/t20-/m0/s1
InChIKeyCVAOICYAARGHRV-FQEVSTJZSA-N
MW337.42 g/mol
LogP2.85
Rot. Bonds1

About (6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one

(6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 97495371) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID97495371
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc3ccccc3n1)C2
InChIInChI=1S/C20H23N3O2/c1-22-18(24)8-4-11-20(22)12-5-13-23(14-20)19(25)17-10-9-15-6-2-3-7-16(15)21-17/h2-3,6-7,9-10H,4-5,8,11-14H2,1H3/t20-/m0/s1
InChIKeyCVAOICYAARGHRV-FQEVSTJZSA-N
XLogP2.85
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155856612
[(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone
CID 97393407
(6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495370
(6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495317
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
(6S)-1-methyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495342
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone
CID 118743671
(6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97495385
[(3S)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 124942181
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131663239

Frequently Asked Questions

What is the IUPAC name of (6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (CID 97495371) is (6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is CN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc3ccccc3n1)C2.
What is the InChIKey of (6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is CVAOICYAARGHRV-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22-18(24)8-4-11-20(22)12-5-13-23(14-20)19(25)17-10-9-15-6-2-3-7-16(15)21-17/h2-3,6-7,9-10H,4-5,8,11-14H2,1H3/t20-/m0/s1.
What are the key properties of (6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
(6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 337.42 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97495371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).