(6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C22H29N3O2 — CID 96571260

IUPAC(6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(Cc3ccnc4ccccc34)C2)CN1CCCO
InChIInChI=1S/C22H29N3O2/c26-14-4-13-25-17-22(10-7-21(25)27)9-3-12-24(16-22)15-18-8-11-23-20-6-2-1-5-19(18)20/h1-2,5-6,8,11,26H,3-4,7,9-10,12-17H2/t22-/m1/s1
InChIKeyJCRCGWVIPNPVJD-JOCHJYFZSA-N
MW367.49 g/mol
LogP2.82
Rot. Bonds5

About (6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96571260) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96571260
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(Cc3ccnc4ccccc34)C2)CN1CCCO
InChIInChI=1S/C22H29N3O2/c26-14-4-13-25-17-22(10-7-21(25)27)9-3-12-24(16-22)15-18-8-11-23-20-6-2-1-5-19(18)20/h1-2,5-6,8,11,26H,3-4,7,9-10,12-17H2/t22-/m1/s1
InChIKeyJCRCGWVIPNPVJD-JOCHJYFZSA-N
XLogP2.82
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 96571260) is (6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@@]2(CCCN(Cc3ccnc4ccccc34)C2)CN1CCCO.
What is the InChIKey of (6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is JCRCGWVIPNPVJD-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-14-4-13-25-17-22(10-7-21(25)27)9-3-12-24(16-22)15-18-8-11-23-20-6-2-1-5-19(18)20/h1-2,5-6,8,11,26H,3-4,7,9-10,12-17H2/t22-/m1/s1.
What are the key properties of (6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 367.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(3-hydroxypropyl)-8-(quinolin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96571260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).