6-methyl-1-(4-methylquinolin-3-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]

C25H26N2 — CID 23160777

IUPAC6-methyl-1-(4-methylquinolin-3-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]
SMILESCc1ccc2c(c1)CC1(CCCCC1)N=C2c1cnc2ccccc2c1C
InChIInChI=1S/C25H26N2/c1-17-10-11-21-19(14-17)15-25(12-6-3-7-13-25)27-24(21)22-16-26-23-9-5-4-8-20(23)18(22)2/h4-5,8-11,14,16H,3,6-7,12-13,15H2,1-2H3
InChIKeyZADDVDYECSNYLC-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.95
Rot. Bonds1

About 6-methyl-1-(4-methylquinolin-3-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]

6-methyl-1-(4-methylquinolin-3-yl)spiro[4H-isoquinoline-3,1'-cyclohexane] (PubChem CID 23160777) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 6-methyl-1-(4-methylquinolin-3-yl)spiro[4H-isoquinoline-3,1'-cyclohexane].

Molecular Properties

Compound Name6-methyl-1-(4-methylquinolin-3-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]
PubChem CID23160777
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name6-methyl-1-(4-methylquinolin-3-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]
SMILESCc1ccc2c(c1)CC1(CCCCC1)N=C2c1cnc2ccccc2c1C
InChIInChI=1S/C25H26N2/c1-17-10-11-21-19(14-17)15-25(12-6-3-7-13-25)27-24(21)22-16-26-23-9-5-4-8-20(23)18(22)2/h4-5,8-11,14,16H,3,6-7,12-13,15H2,1-2H3
InChIKeyZADDVDYECSNYLC-UHFFFAOYSA-N
XLogP5.95
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-methylquinolin-3-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]?
The IUPAC name of 6-methyl-1-(4-methylquinolin-3-yl)spiro[4H-isoquinoline-3,1'-cyclohexane] (CID 23160777) is 6-methyl-1-(4-methylquinolin-3-yl)spiro[4H-isoquinoline-3,1'-cyclohexane].
What is the SMILES notation for 6-methyl-1-(4-methylquinolin-3-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]?
The canonical SMILES for 6-methyl-1-(4-methylquinolin-3-yl)spiro[4H-isoquinoline-3,1'-cyclohexane] is Cc1ccc2c(c1)CC1(CCCCC1)N=C2c1cnc2ccccc2c1C.
What is the InChIKey of 6-methyl-1-(4-methylquinolin-3-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]?
The InChIKey is ZADDVDYECSNYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-17-10-11-21-19(14-17)15-25(12-6-3-7-13-25)27-24(21)22-16-26-23-9-5-4-8-20(23)18(22)2/h4-5,8-11,14,16H,3,6-7,12-13,15H2,1-2H3.
What are the key properties of 6-methyl-1-(4-methylquinolin-3-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]?
6-methyl-1-(4-methylquinolin-3-yl)spiro[4H-isoquinoline-3,1'-cyclohexane] has a molecular weight of 354.50 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(4-methylquinolin-3-yl)spiro[4H-isoquinoline-3,1'-cyclohexane] is sourced from PubChem (CID 23160777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).