10'-methylspiro[1H-2-benzofuran-3,9'-acridine]

C21H17NO — CID 102444740

IUPAC10'-methylspiro[1H-2-benzofuran-3,9'-acridine]
SMILESCN1c2ccccc2C2(OCc3ccccc32)c2ccccc21
InChIInChI=1S/C21H17NO/c1-22-19-12-6-4-10-17(19)21(18-11-5-7-13-20(18)22)16-9-3-2-8-15(16)14-23-21/h2-13H,14H2,1H3
InChIKeyQRVPENNCRSRGSU-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.59
Rot. Bonds

About 10'-methylspiro[1H-2-benzofuran-3,9'-acridine]

10'-methylspiro[1H-2-benzofuran-3,9'-acridine] (PubChem CID 102444740) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 10'-methylspiro[1H-2-benzofuran-3,9'-acridine].

Molecular Properties

Compound Name10'-methylspiro[1H-2-benzofuran-3,9'-acridine]
PubChem CID102444740
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name10'-methylspiro[1H-2-benzofuran-3,9'-acridine]
SMILESCN1c2ccccc2C2(OCc3ccccc32)c2ccccc21
InChIInChI=1S/C21H17NO/c1-22-19-12-6-4-10-17(19)21(18-11-5-7-13-20(18)22)16-9-3-2-8-15(16)14-23-21/h2-13H,14H2,1H3
InChIKeyQRVPENNCRSRGSU-UHFFFAOYSA-N
XLogP4.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10'-methylspiro[1H-2-benzofuran-3,9'-acridine]?
The IUPAC name of 10'-methylspiro[1H-2-benzofuran-3,9'-acridine] (CID 102444740) is 10'-methylspiro[1H-2-benzofuran-3,9'-acridine].
What is the SMILES notation for 10'-methylspiro[1H-2-benzofuran-3,9'-acridine]?
The canonical SMILES for 10'-methylspiro[1H-2-benzofuran-3,9'-acridine] is CN1c2ccccc2C2(OCc3ccccc32)c2ccccc21.
What is the InChIKey of 10'-methylspiro[1H-2-benzofuran-3,9'-acridine]?
The InChIKey is QRVPENNCRSRGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-22-19-12-6-4-10-17(19)21(18-11-5-7-13-20(18)22)16-9-3-2-8-15(16)14-23-21/h2-13H,14H2,1H3.
What are the key properties of 10'-methylspiro[1H-2-benzofuran-3,9'-acridine]?
10'-methylspiro[1H-2-benzofuran-3,9'-acridine] has a molecular weight of 299.37 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-methylspiro[1H-2-benzofuran-3,9'-acridine] is sourced from PubChem (CID 102444740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).