[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone

C27H31N3O — CID 45200874

IUPAC[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone
SMILESO=C(c1cnc2ccccc2c1)N1CCC2(CCCN(CCCc3ccccc3)C2)C1
InChIInChI=1S/C27H31N3O/c31-26(24-18-23-11-4-5-12-25(23)28-19-24)30-17-14-27(21-30)13-7-16-29(20-27)15-6-10-22-8-2-1-3-9-22/h1-5,8-9,11-12,18-19H,6-7,10,13-17,20-21H2
InChIKeyQLMMVSRTFJWAQQ-UHFFFAOYSA-N
MW413.57 g/mol
LogP4.80
Rot. Bonds5

About [9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone

[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone (PubChem CID 45200874) has the molecular formula C27H31N3O and a molecular weight of 413.57 g/mol. Its IUPAC name is [9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone.

Molecular Properties

Compound Name[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone
PubChem CID45200874
Molecular FormulaC27H31N3O
Molecular Weight413.57 g/mol
Exact Mass413.25
IUPAC Name[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone
SMILESO=C(c1cnc2ccccc2c1)N1CCC2(CCCN(CCCc3ccccc3)C2)C1
InChIInChI=1S/C27H31N3O/c31-26(24-18-23-11-4-5-12-25(23)28-19-24)30-17-14-27(21-30)13-7-16-29(20-27)15-6-10-22-8-2-1-3-9-22/h1-5,8-9,11-12,18-19H,6-7,10,13-17,20-21H2
InChIKeyQLMMVSRTFJWAQQ-UHFFFAOYSA-N
XLogP4.80
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45195685
[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
CID 45195230
[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 42341584
(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45199217
(5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42290294
2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 45226995
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
CID 56890746
5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
CID 166254868
(E)-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 25289959
(E)-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 45207374
2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide
CID 126426416
(E)-1-[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 25278228

Frequently Asked Questions

What is the IUPAC name of [9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone?
The IUPAC name of [9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone (CID 45200874) is [9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone.
What is the SMILES notation for [9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone?
The canonical SMILES for [9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone is O=C(c1cnc2ccccc2c1)N1CCC2(CCCN(CCCc3ccccc3)C2)C1.
What is the InChIKey of [9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone?
The InChIKey is QLMMVSRTFJWAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O/c31-26(24-18-23-11-4-5-12-25(23)28-19-24)30-17-14-27(21-30)13-7-16-29(20-27)15-6-10-22-8-2-1-3-9-22/h1-5,8-9,11-12,18-19H,6-7,10,13-17,20-21H2.
What are the key properties of [9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone?
[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone has a molecular weight of 413.57 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone is sourced from PubChem (CID 45200874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).