6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione

C20H17NO3 — CID 170178428

IUPAC6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione
SMILESO=C1NC(=O)C2(CCOc3ccccc32)c2cc(C3CC3)ccc21
InChIInChI=1S/C20H17NO3/c22-18-14-8-7-13(12-5-6-12)11-16(14)20(19(23)21-18)9-10-24-17-4-2-1-3-15(17)20/h1-4,7-8,11-12H,5-6,9-10H2,(H,21,22,23)
InChIKeyVVANTDOQNSKNBX-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.90
Rot. Bonds1

About 6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione

6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione (PubChem CID 170178428) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione.

Molecular Properties

Compound Name6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione
PubChem CID170178428
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione
SMILESO=C1NC(=O)C2(CCOc3ccccc32)c2cc(C3CC3)ccc21
InChIInChI=1S/C20H17NO3/c22-18-14-8-7-13(12-5-6-12)11-16(14)20(19(23)21-18)9-10-24-17-4-2-1-3-15(17)20/h1-4,7-8,11-12H,5-6,9-10H2,(H,21,22,23)
InChIKeyVVANTDOQNSKNBX-UHFFFAOYSA-N
XLogP2.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione?
The IUPAC name of 6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione (CID 170178428) is 6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione.
What is the SMILES notation for 6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione?
The canonical SMILES for 6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione is O=C1NC(=O)C2(CCOc3ccccc32)c2cc(C3CC3)ccc21.
What is the InChIKey of 6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione?
The InChIKey is VVANTDOQNSKNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-18-14-8-7-13(12-5-6-12)11-16(14)20(19(23)21-18)9-10-24-17-4-2-1-3-15(17)20/h1-4,7-8,11-12H,5-6,9-10H2,(H,21,22,23).
What are the key properties of 6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione?
6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione has a molecular weight of 319.36 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-cyclopropylspiro[2,3-dihydrochromene-4,4'-isoquinoline]-1',3'-dione is sourced from PubChem (CID 170178428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).