N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide

C18H18N4O3 — CID 60611899

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)c1nccc2ccccc12
InChIInChI=1S/C18H18N4O3/c23-15(14-13-7-3-2-6-12(13)8-11-19-14)21-22-16(24)18(20-17(22)25)9-4-1-5-10-18/h2-3,6-8,11H,1,4-5,9-10H2,(H,20,25)(H,21,23)
InChIKeyMOUHRLWNZZRUFR-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.13
Rot. Bonds2

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide (PubChem CID 60611899) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide
PubChem CID60611899
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)c1nccc2ccccc12
InChIInChI=1S/C18H18N4O3/c23-15(14-13-7-3-2-6-12(13)8-11-19-14)21-22-16(24)18(20-17(22)25)9-4-1-5-10-18/h2-3,6-8,11H,1,4-5,9-10H2,(H,20,25)(H,21,23)
InChIKeyMOUHRLWNZZRUFR-UHFFFAOYSA-N
XLogP2.13
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide (CID 60611899) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide is O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1nccc2ccccc12.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide?
The InChIKey is MOUHRLWNZZRUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-15(14-13-7-3-2-6-12(13)8-11-19-14)21-22-16(24)18(20-17(22)25)9-4-1-5-10-18/h2-3,6-8,11H,1,4-5,9-10H2,(H,20,25)(H,21,23).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide is sourced from PubChem (CID 60611899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).