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

C20H23N3O2 — CID 97495370

IUPAC(6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C20H23N3O2/c1-22-18(24)6-2-9-20(22)10-4-12-23(14-20)19(25)16-7-8-17-15(13-16)5-3-11-21-17/h3,5,7-8,11,13H,2,4,6,9-10,12,14H2,1H3/t20-/m1/s1
InChIKeyQDWSIQFWUFOSRM-HXUWFJFHSA-N
MW337.42 g/mol
LogP2.85
Rot. Bonds1

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

(6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 97495370) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID97495370
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C20H23N3O2/c1-22-18(24)6-2-9-20(22)10-4-12-23(14-20)19(25)16-7-8-17-15(13-16)5-3-11-21-17/h3,5,7-8,11,13H,2,4,6,9-10,12,14H2,1H3/t20-/m1/s1
InChIKeyQDWSIQFWUFOSRM-HXUWFJFHSA-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

(6R)-1-prop-2-enyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495568
(6S)-1-methyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495342
(6S)-1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495371
9-methyl-1-(quinoline-6-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633720
(5S)-6-methyl-9-pyridin-3-yl-2-(quinoline-6-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373597
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone
CID 135108033
1-methyl-8-(quinoline-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155856612
(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone
CID 134073962
(6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495317
[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone
CID 97419649
[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 115304563
(2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
CID 125009721

Frequently Asked Questions

What is the IUPAC name of (6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one (CID 97495370) is (6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is CN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc3ncccc3c1)C2.
What is the InChIKey of (6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is QDWSIQFWUFOSRM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22-18(24)6-2-9-20(22)10-4-12-23(14-20)19(25)16-7-8-17-15(13-16)5-3-11-21-17/h3,5,7-8,11,13H,2,4,6,9-10,12,14H2,1H3/t20-/m1/s1.
What are the key properties of (6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one?
(6R)-1-methyl-8-(quinoline-6-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 (6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97495370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).