9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane

C18H23N3 — CID 79232566

IUPAC9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESc1ccc2c(CN3CCNC4(CCCC4)C3)ccnc2c1
InChIInChI=1S/C18H23N3/c1-2-6-17-16(5-1)15(7-10-19-17)13-21-12-11-20-18(14-21)8-3-4-9-18/h1-2,5-7,10,20H,3-4,8-9,11-14H2
InChIKeyHORRWDRVXXCJMX-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.95
Rot. Bonds2

About 9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane

9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 79232566) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane
PubChem CID79232566
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESc1ccc2c(CN3CCNC4(CCCC4)C3)ccnc2c1
InChIInChI=1S/C18H23N3/c1-2-6-17-16(5-1)15(7-10-19-17)13-21-12-11-20-18(14-21)8-3-4-9-18/h1-2,5-7,10,20H,3-4,8-9,11-14H2
InChIKeyHORRWDRVXXCJMX-UHFFFAOYSA-N
XLogP2.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10-(1-benzothiophen-3-ylmethyl)-6,10-diazaspiro[4.6]undecane
CID 64869502
3-(6,9-diazaspiro[4.5]decan-9-ylmethyl)-1,2-oxazole
CID 81173500
4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 79240395
1-(quinolin-4-ylmethyl)piperidin-4-one
CID 79235169
4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 115882998
9-[(6-methyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952394
10-[(2-methylpyrimidin-4-yl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64949153
9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane
CID 64834067
4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline
CID 79232784
9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64833057

Frequently Asked Questions

What is the IUPAC name of 9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane (CID 79232566) is 9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane is c1ccc2c(CN3CCNC4(CCCC4)C3)ccnc2c1.
What is the InChIKey of 9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is HORRWDRVXXCJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-6-17-16(5-1)15(7-10-19-17)13-21-12-11-20-18(14-21)8-3-4-9-18/h1-2,5-7,10,20H,3-4,8-9,11-14H2.
What are the key properties of 9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane?
9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 281.40 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 79232566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).