6-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride

C19H28ClN3O — CID 120907004

IUPAC6-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCN1C(=O)CCc2cc(CN3CCC4(CCNCC4)C3)ccc21.Cl
InChIInChI=1S/C19H27N3O.ClH/c1-21-17-4-2-15(12-16(17)3-5-18(21)23)13-22-11-8-19(14-22)6-9-20-10-7-19;/h2,4,12,20H,3,5-11,13-14H2,1H3;1H
InChIKeyPXPOWYPJHFDYDN-UHFFFAOYSA-N
MW349.91 g/mol
LogP2.59
Rot. Bonds2

About 6-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride

6-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride (PubChem CID 120907004) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is 6-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride.

Molecular Properties

Compound Name6-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
PubChem CID120907004
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Name6-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCN1C(=O)CCc2cc(CN3CCC4(CCNCC4)C3)ccc21.Cl
InChIInChI=1S/C19H27N3O.ClH/c1-21-17-4-2-15(12-16(17)3-5-18(21)23)13-22-11-8-19(14-22)6-9-20-10-7-19;/h2,4,12,20H,3,5-11,13-14H2,1H3;1H
InChIKeyPXPOWYPJHFDYDN-UHFFFAOYSA-N
XLogP2.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride?
The IUPAC name of 6-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride (CID 120907004) is 6-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride.
What is the SMILES notation for 6-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride?
The canonical SMILES for 6-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride is CN1C(=O)CCc2cc(CN3CCC4(CCNCC4)C3)ccc21.Cl.
What is the InChIKey of 6-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride?
The InChIKey is PXPOWYPJHFDYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O.ClH/c1-21-17-4-2-15(12-16(17)3-5-18(21)23)13-22-11-8-19(14-22)6-9-20-10-7-19;/h2,4,12,20H,3,5-11,13-14H2,1H3;1H.
What are the key properties of 6-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride?
6-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride has a molecular weight of 349.91 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride is sourced from PubChem (CID 120907004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).