(6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride

C24H36Cl2N4O2 — CID 171316569

IUPAC(6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride
SMILESCc1ccc2cc(CN3CCC[C@]4(CNCC[C@@H]4O)C3)c(N3CCOCC3)nc2c1.Cl.Cl
InChIInChI=1S/C24H34N4O2.2ClH/c1-18-3-4-19-14-20(23(26-21(19)13-18)28-9-11-30-12-10-28)15-27-8-2-6-24(17-27)16-25-7-5-22(24)29;;/h3-4,13-14,22,25,29H,2,5-12,15-17H2,1H3;2*1H/t22-,24-;;/m0../s1
InChIKeyVYRFSLHKJJWKJA-SBKRINIZSA-N
MW483.48 g/mol
LogP3.16
Rot. Bonds3

About (6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride

(6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride (PubChem CID 171316569) has the molecular formula C24H36Cl2N4O2 and a molecular weight of 483.48 g/mol. Its IUPAC name is (6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride.

Molecular Properties

Compound Name(6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride
PubChem CID171316569
Molecular FormulaC24H36Cl2N4O2
Molecular Weight483.48 g/mol
Exact Mass482.22
IUPAC Name(6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride
SMILESCc1ccc2cc(CN3CCC[C@]4(CNCC[C@@H]4O)C3)c(N3CCOCC3)nc2c1.Cl.Cl
InChIInChI=1S/C24H34N4O2.2ClH/c1-18-3-4-19-14-20(23(26-21(19)13-18)28-9-11-30-12-10-28)15-27-8-2-6-24(17-27)16-25-7-5-22(24)29;;/h3-4,13-14,22,25,29H,2,5-12,15-17H2,1H3;2*1H/t22-,24-;;/m0../s1
InChIKeyVYRFSLHKJJWKJA-SBKRINIZSA-N
XLogP3.16
TPSA60.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine
CID 91761902
(3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid
CID 164690368
3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one
CID 164688908
(3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
CID 163309665
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol
CID 115874196
(6S,11S)-2-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride
CID 171316660
(6S,11S)-2-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol
CID 164695792
(4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165422199
1-[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone;hydrochloride
CID 171317269
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine
CID 131948850
(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol
CID 134704805
1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine
CID 131914391

Frequently Asked Questions

What is the IUPAC name of (6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride?
The IUPAC name of (6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride (CID 171316569) is (6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride.
What is the SMILES notation for (6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride?
The canonical SMILES for (6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride is Cc1ccc2cc(CN3CCC[C@]4(CNCC[C@@H]4O)C3)c(N3CCOCC3)nc2c1.Cl.Cl.
What is the InChIKey of (6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride?
The InChIKey is VYRFSLHKJJWKJA-SBKRINIZSA-N. The full InChI is InChI=1S/C24H34N4O2.2ClH/c1-18-3-4-19-14-20(23(26-21(19)13-18)28-9-11-30-12-10-28)15-27-8-2-6-24(17-27)16-25-7-5-22(24)29;;/h3-4,13-14,22,25,29H,2,5-12,15-17H2,1H3;2*1H/t22-,24-;;/m0../s1.
What are the key properties of (6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride?
(6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride has a molecular weight of 483.48 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride is sourced from PubChem (CID 171316569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).