2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione

C16H20N2O3 — CID 63097508

IUPAC2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione
SMILESCNC(c1ccc2c(c1)C(=O)N(C)C(=O)C2)C1CCOC1
InChIInChI=1S/C16H20N2O3/c1-17-15(12-5-6-21-9-12)11-4-3-10-8-14(19)18(2)16(20)13(10)7-11/h3-4,7,12,15,17H,5-6,8-9H2,1-2H3
InChIKeyOZQRVAHPSHMUNP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.14
Rot. Bonds3

About 2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione

2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione (PubChem CID 63097508) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione
PubChem CID63097508
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione
SMILESCNC(c1ccc2c(c1)C(=O)N(C)C(=O)C2)C1CCOC1
InChIInChI=1S/C16H20N2O3/c1-17-15(12-5-6-21-9-12)11-4-3-10-8-14(19)18(2)16(20)13(10)7-11/h3-4,7,12,15,17H,5-6,8-9H2,1-2H3
InChIKeyOZQRVAHPSHMUNP-UHFFFAOYSA-N
XLogP1.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione?
The IUPAC name of 2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione (CID 63097508) is 2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione?
The canonical SMILES for 2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione is CNC(c1ccc2c(c1)C(=O)N(C)C(=O)C2)C1CCOC1.
What is the InChIKey of 2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione?
The InChIKey is OZQRVAHPSHMUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-17-15(12-5-6-21-9-12)11-4-3-10-8-14(19)18(2)16(20)13(10)7-11/h3-4,7,12,15,17H,5-6,8-9H2,1-2H3.
What are the key properties of 2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione?
2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione has a molecular weight of 288.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 63097508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).