2-[2-(cyclohexen-1-yl)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione

C20H20N2O2 — CID 892978

IUPAC2-[2-(cyclohexen-1-yl)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccccc2c2c1C(=O)N(CCC1=CCCCC1)C2=O
InChIInChI=1S/C20H20N2O2/c1-13-17-18(15-9-5-6-10-16(15)21-13)20(24)22(19(17)23)12-11-14-7-3-2-4-8-14/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKeyKZSLTCCXVXTCOE-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.03
Rot. Bonds3

About 2-[2-(cyclohexen-1-yl)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione

2-[2-(cyclohexen-1-yl)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 892978) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID892978
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[2-(cyclohexen-1-yl)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccccc2c2c1C(=O)N(CCC1=CCCCC1)C2=O
InChIInChI=1S/C20H20N2O2/c1-13-17-18(15-9-5-6-10-16(15)21-13)20(24)22(19(17)23)12-11-14-7-3-2-4-8-14/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKeyKZSLTCCXVXTCOE-UHFFFAOYSA-N
XLogP4.03
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione (CID 892978) is 2-[2-(cyclohexen-1-yl)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione is Cc1nc2ccccc2c2c1C(=O)N(CCC1=CCCCC1)C2=O.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is KZSLTCCXVXTCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-17-18(15-9-5-6-10-16(15)21-13)20(24)22(19(17)23)12-11-14-7-3-2-4-8-14/h5-7,9-10H,2-4,8,11-12H2,1H3.
What are the key properties of 2-[2-(cyclohexen-1-yl)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
2-[2-(cyclohexen-1-yl)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 320.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 892978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).