2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride

C19H24ClFN4O3 — CID 120881841

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
SMILESCC(C(=O)Nc1ccc2c(c1F)CCNC2)N1C(=O)NC2(CCCC2)C1=O.Cl
InChIInChI=1S/C19H23FN4O3.ClH/c1-11(24-17(26)19(23-18(24)27)7-2-3-8-19)16(25)22-14-5-4-12-10-21-9-6-13(12)15(14)20;/h4-5,11,21H,2-3,6-10H2,1H3,(H,22,25)(H,23,27);1H
InChIKeyHSDUGLBMZRRMLP-UHFFFAOYSA-N
MW410.88 g/mol
LogP2.08
Rot. Bonds3

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride (PubChem CID 120881841) has the molecular formula C19H24ClFN4O3 and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
PubChem CID120881841
Molecular FormulaC19H24ClFN4O3
Molecular Weight410.88 g/mol
Exact Mass410.15
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
SMILESCC(C(=O)Nc1ccc2c(c1F)CCNC2)N1C(=O)NC2(CCCC2)C1=O.Cl
InChIInChI=1S/C19H23FN4O3.ClH/c1-11(24-17(26)19(23-18(24)27)7-2-3-8-19)16(25)22-14-5-4-12-10-21-9-6-13(12)15(14)20;/h4-5,11,21H,2-3,6-10H2,1H3,(H,22,25)(H,23,27);1H
InChIKeyHSDUGLBMZRRMLP-UHFFFAOYSA-N
XLogP2.08
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylpropanamide;hydrochloride
CID 120883299
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;dihydrochloride
CID 120882617
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopentane-1-carboxamide
CID 120881270
(2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide
CID 120880934
(2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 2430041
2-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]phenyl]acetic acid
CID 119353211
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 120882213
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 120883137
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 97251844
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-naphthalen-1-ylpropanamide
CID 112775763
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopropane-1-carboxamide
CID 120881068
2-ethylsulfanyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide;hydrochloride
CID 120883917

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride (CID 120881841) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride is CC(C(=O)Nc1ccc2c(c1F)CCNC2)N1C(=O)NC2(CCCC2)C1=O.Cl.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride?
The InChIKey is HSDUGLBMZRRMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3.ClH/c1-11(24-17(26)19(23-18(24)27)7-2-3-8-19)16(25)22-14-5-4-12-10-21-9-6-13(12)15(14)20;/h4-5,11,21H,2-3,6-10H2,1H3,(H,22,25)(H,23,27);1H.
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride has a molecular weight of 410.88 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride is sourced from PubChem (CID 120881841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).