2'-methyl-4'-(2-methylpiperidin-1-yl)spiro[1,2-dihydroindene-3,8'-6,7-dihydro-5H-quinazoline]

C23H29N3 — CID 11210206

IUPAC2'-methyl-4'-(2-methylpiperidin-1-yl)spiro[1,2-dihydroindene-3,8'-6,7-dihydro-5H-quinazoline]
SMILESCc1nc(N2CCCCC2C)c2c(n1)C1(CCC2)CCc2ccccc21
InChIInChI=1S/C23H29N3/c1-16-8-5-6-15-26(16)22-19-10-7-13-23(21(19)24-17(2)25-22)14-12-18-9-3-4-11-20(18)23/h3-4,9,11,16H,5-8,10,12-15H2,1-2H3
InChIKeyYZTFUDQBDNBETF-UHFFFAOYSA-N
MW347.51 g/mol
LogP4.73
Rot. Bonds1

About 2'-methyl-4'-(2-methylpiperidin-1-yl)spiro[1,2-dihydroindene-3,8'-6,7-dihydro-5H-quinazoline]

2'-methyl-4'-(2-methylpiperidin-1-yl)spiro[1,2-dihydroindene-3,8'-6,7-dihydro-5H-quinazoline] (PubChem CID 11210206) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is 2'-methyl-4'-(2-methylpiperidin-1-yl)spiro[1,2-dihydroindene-3,8'-6,7-dihydro-5H-quinazoline].

Molecular Properties

Compound Name2'-methyl-4'-(2-methylpiperidin-1-yl)spiro[1,2-dihydroindene-3,8'-6,7-dihydro-5H-quinazoline]
PubChem CID11210206
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name2'-methyl-4'-(2-methylpiperidin-1-yl)spiro[1,2-dihydroindene-3,8'-6,7-dihydro-5H-quinazoline]
SMILESCc1nc(N2CCCCC2C)c2c(n1)C1(CCC2)CCc2ccccc21
InChIInChI=1S/C23H29N3/c1-16-8-5-6-15-26(16)22-19-10-7-13-23(21(19)24-17(2)25-22)14-12-18-9-3-4-11-20(18)23/h3-4,9,11,16H,5-8,10,12-15H2,1-2H3
InChIKeyYZTFUDQBDNBETF-UHFFFAOYSA-N
XLogP4.73
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2'-methyl-4'-(2-methylpiperidin-1-yl)spiro[1,2-dihydroindene-3,8'-6,7-dihydro-5H-quinazoline]?
The IUPAC name of 2'-methyl-4'-(2-methylpiperidin-1-yl)spiro[1,2-dihydroindene-3,8'-6,7-dihydro-5H-quinazoline] (CID 11210206) is 2'-methyl-4'-(2-methylpiperidin-1-yl)spiro[1,2-dihydroindene-3,8'-6,7-dihydro-5H-quinazoline].
What is the SMILES notation for 2'-methyl-4'-(2-methylpiperidin-1-yl)spiro[1,2-dihydroindene-3,8'-6,7-dihydro-5H-quinazoline]?
The canonical SMILES for 2'-methyl-4'-(2-methylpiperidin-1-yl)spiro[1,2-dihydroindene-3,8'-6,7-dihydro-5H-quinazoline] is Cc1nc(N2CCCCC2C)c2c(n1)C1(CCC2)CCc2ccccc21.
What is the InChIKey of 2'-methyl-4'-(2-methylpiperidin-1-yl)spiro[1,2-dihydroindene-3,8'-6,7-dihydro-5H-quinazoline]?
The InChIKey is YZTFUDQBDNBETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-16-8-5-6-15-26(16)22-19-10-7-13-23(21(19)24-17(2)25-22)14-12-18-9-3-4-11-20(18)23/h3-4,9,11,16H,5-8,10,12-15H2,1-2H3.
What are the key properties of 2'-methyl-4'-(2-methylpiperidin-1-yl)spiro[1,2-dihydroindene-3,8'-6,7-dihydro-5H-quinazoline]?
2'-methyl-4'-(2-methylpiperidin-1-yl)spiro[1,2-dihydroindene-3,8'-6,7-dihydro-5H-quinazoline] has a molecular weight of 347.51 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methyl-4'-(2-methylpiperidin-1-yl)spiro[1,2-dihydroindene-3,8'-6,7-dihydro-5H-quinazoline] is sourced from PubChem (CID 11210206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).