4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine]

C21H21N3O — CID 133413414

IUPAC4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
SMILESCc1cccc2c(N3CCOC4(CCc5ccccc54)C3)ncnc12
InChIInChI=1S/C21H21N3O/c1-15-5-4-7-17-19(15)22-14-23-20(17)24-11-12-25-21(13-24)10-9-16-6-2-3-8-18(16)21/h2-8,14H,9-13H2,1H3
InChIKeyFIHVAVQYTKDTCC-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.62
Rot. Bonds1

About 4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine]

4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine] (PubChem CID 133413414) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine].

Molecular Properties

Compound Name4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
PubChem CID133413414
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
SMILESCc1cccc2c(N3CCOC4(CCc5ccccc54)C3)ncnc12
InChIInChI=1S/C21H21N3O/c1-15-5-4-7-17-19(15)22-14-23-20(17)24-11-12-25-21(13-24)10-9-16-6-2-3-8-18(16)21/h2-8,14H,9-13H2,1H3
InChIKeyFIHVAVQYTKDTCC-UHFFFAOYSA-N
XLogP3.62
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine]?
The IUPAC name of 4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine] (CID 133413414) is 4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine].
What is the SMILES notation for 4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine]?
The canonical SMILES for 4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine] is Cc1cccc2c(N3CCOC4(CCc5ccccc54)C3)ncnc12.
What is the InChIKey of 4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine]?
The InChIKey is FIHVAVQYTKDTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-5-4-7-17-19(15)22-14-23-20(17)24-11-12-25-21(13-24)10-9-16-6-2-3-8-18(16)21/h2-8,14H,9-13H2,1H3.
What are the key properties of 4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine]?
4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine] has a molecular weight of 331.42 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine] is sourced from PubChem (CID 133413414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).