3,3,4,4-tetramethyl-1-(8-methylquinolin-7-yl)isoquinoline

C23H24N2 — CID 135152789

IUPAC3,3,4,4-tetramethyl-1-(8-methylquinolin-7-yl)isoquinoline
SMILESCc1c(C2=NC(C)(C)C(C)(C)c3ccccc32)ccc2cccnc12
InChIInChI=1S/C23H24N2/c1-15-17(13-12-16-9-8-14-24-20(15)16)21-18-10-6-7-11-19(18)22(2,3)23(4,5)25-21/h6-14H,1-5H3
InChIKeyYDKFDICSUCHZOL-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.45
Rot. Bonds1

About 3,3,4,4-tetramethyl-1-(8-methylquinolin-7-yl)isoquinoline

3,3,4,4-tetramethyl-1-(8-methylquinolin-7-yl)isoquinoline (PubChem CID 135152789) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3,3,4,4-tetramethyl-1-(8-methylquinolin-7-yl)isoquinoline.

Molecular Properties

Compound Name3,3,4,4-tetramethyl-1-(8-methylquinolin-7-yl)isoquinoline
PubChem CID135152789
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name3,3,4,4-tetramethyl-1-(8-methylquinolin-7-yl)isoquinoline
SMILESCc1c(C2=NC(C)(C)C(C)(C)c3ccccc32)ccc2cccnc12
InChIInChI=1S/C23H24N2/c1-15-17(13-12-16-9-8-14-24-20(15)16)21-18-10-6-7-11-19(18)22(2,3)23(4,5)25-21/h6-14H,1-5H3
InChIKeyYDKFDICSUCHZOL-UHFFFAOYSA-N
XLogP5.45
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3,4,4-tetramethylisoquinolin-1-yl)-5,6,7,8-tetrahydroquinoxaline
CID 135152929
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
7,8-dimethylquinoline;ethane
CID 91494918
7-tert-butyl-8-methylquinoline
CID 146326372
2-[17,29-bis(1,10-phenanthrolin-2-yl)-4-nonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15(20),16,18,21,23,25,27(32),28,30,33,35,37-octadecaenyl]-1,10-phenanthroline
CID 59096375
2-(3,3,4,4-tetramethylisoquinolin-1-yl)thieno[2,3-b]pyrazine
CID 135152778

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetramethyl-1-(8-methylquinolin-7-yl)isoquinoline?
The IUPAC name of 3,3,4,4-tetramethyl-1-(8-methylquinolin-7-yl)isoquinoline (CID 135152789) is 3,3,4,4-tetramethyl-1-(8-methylquinolin-7-yl)isoquinoline.
What is the SMILES notation for 3,3,4,4-tetramethyl-1-(8-methylquinolin-7-yl)isoquinoline?
The canonical SMILES for 3,3,4,4-tetramethyl-1-(8-methylquinolin-7-yl)isoquinoline is Cc1c(C2=NC(C)(C)C(C)(C)c3ccccc32)ccc2cccnc12.
What is the InChIKey of 3,3,4,4-tetramethyl-1-(8-methylquinolin-7-yl)isoquinoline?
The InChIKey is YDKFDICSUCHZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-15-17(13-12-16-9-8-14-24-20(15)16)21-18-10-6-7-11-19(18)22(2,3)23(4,5)25-21/h6-14H,1-5H3.
What are the key properties of 3,3,4,4-tetramethyl-1-(8-methylquinolin-7-yl)isoquinoline?
3,3,4,4-tetramethyl-1-(8-methylquinolin-7-yl)isoquinoline has a molecular weight of 328.46 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetramethyl-1-(8-methylquinolin-7-yl)isoquinoline is sourced from PubChem (CID 135152789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).