spiro[3,4-dihydro-2H-pyrimido[1,2-a]indole-10,7'-6H-furo[2,3-f][1,3]benzodioxole]

C19H16N2O3 — CID 25226468

IUPACspiro[3,4-dihydro-2H-pyrimido[1,2-a]indole-10,7'-6H-furo[2,3-f][1,3]benzodioxole]
SMILESc1ccc2c(c1)N1CCCN=C1C21COc2cc3c(cc21)OCO3
InChIInChI=1S/C19H16N2O3/c1-2-5-14-12(4-1)19(18-20-6-3-7-21(14)18)10-22-15-9-17-16(8-13(15)19)23-11-24-17/h1-2,4-5,8-9H,3,6-7,10-11H2
InChIKeyCHZUKSIDOXPVKK-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.72
Rot. Bonds

About spiro[3,4-dihydro-2H-pyrimido[1,2-a]indole-10,7'-6H-furo[2,3-f][1,3]benzodioxole]

spiro[3,4-dihydro-2H-pyrimido[1,2-a]indole-10,7'-6H-furo[2,3-f][1,3]benzodioxole] (PubChem CID 25226468) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is spiro[3,4-dihydro-2H-pyrimido[1,2-a]indole-10,7'-6H-furo[2,3-f][1,3]benzodioxole].

Molecular Properties

Compound Namespiro[3,4-dihydro-2H-pyrimido[1,2-a]indole-10,7'-6H-furo[2,3-f][1,3]benzodioxole]
PubChem CID25226468
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Namespiro[3,4-dihydro-2H-pyrimido[1,2-a]indole-10,7'-6H-furo[2,3-f][1,3]benzodioxole]
SMILESc1ccc2c(c1)N1CCCN=C1C21COc2cc3c(cc21)OCO3
InChIInChI=1S/C19H16N2O3/c1-2-5-14-12(4-1)19(18-20-6-3-7-21(14)18)10-22-15-9-17-16(8-13(15)19)23-11-24-17/h1-2,4-5,8-9H,3,6-7,10-11H2
InChIKeyCHZUKSIDOXPVKK-UHFFFAOYSA-N
XLogP2.72
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydro-2H-pyrimido[1,2-a]indole-10,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The IUPAC name of spiro[3,4-dihydro-2H-pyrimido[1,2-a]indole-10,7'-6H-furo[2,3-f][1,3]benzodioxole] (CID 25226468) is spiro[3,4-dihydro-2H-pyrimido[1,2-a]indole-10,7'-6H-furo[2,3-f][1,3]benzodioxole].
What is the SMILES notation for spiro[3,4-dihydro-2H-pyrimido[1,2-a]indole-10,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The canonical SMILES for spiro[3,4-dihydro-2H-pyrimido[1,2-a]indole-10,7'-6H-furo[2,3-f][1,3]benzodioxole] is c1ccc2c(c1)N1CCCN=C1C21COc2cc3c(cc21)OCO3.
What is the InChIKey of spiro[3,4-dihydro-2H-pyrimido[1,2-a]indole-10,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The InChIKey is CHZUKSIDOXPVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-2-5-14-12(4-1)19(18-20-6-3-7-21(14)18)10-22-15-9-17-16(8-13(15)19)23-11-24-17/h1-2,4-5,8-9H,3,6-7,10-11H2.
What are the key properties of spiro[3,4-dihydro-2H-pyrimido[1,2-a]indole-10,7'-6H-furo[2,3-f][1,3]benzodioxole]?
spiro[3,4-dihydro-2H-pyrimido[1,2-a]indole-10,7'-6H-furo[2,3-f][1,3]benzodioxole] has a molecular weight of 320.35 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydro-2H-pyrimido[1,2-a]indole-10,7'-6H-furo[2,3-f][1,3]benzodioxole] is sourced from PubChem (CID 25226468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).