3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline

C21H20N2 — CID 23160875

IUPAC3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline
SMILESCC1c2ccccc2C(c2cnc3ccccc3c2)=NC1(C)C
InChIInChI=1S/C21H20N2/c1-14-17-9-5-6-10-18(17)20(23-21(14,2)3)16-12-15-8-4-7-11-19(15)22-13-16/h4-14H,1-3H3
InChIKeyPERCAORRLZAQFF-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.97
Rot. Bonds1

About 3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline

3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline (PubChem CID 23160875) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline.

Molecular Properties

Compound Name3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline
PubChem CID23160875
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline
SMILESCC1c2ccccc2C(c2cnc3ccccc3c2)=NC1(C)C
InChIInChI=1S/C21H20N2/c1-14-17-9-5-6-10-18(17)20(23-21(14,2)3)16-12-15-8-4-7-11-19(15)22-13-16/h4-14H,1-3H3
InChIKeyPERCAORRLZAQFF-UHFFFAOYSA-N
XLogP4.97
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dibromo-3-(chloromethyl)-3-methyl-1-quinolin-3-ylisoquinoline
CID 90308975
6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160905
4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane]
CID 68993426
5-fluoro-3,4-dimethyl-1-quinolin-3-yl-3,4-dihydroisoquinoline
CID 71424797
5-fluoro-1-(6-fluoroquinolin-3-yl)-3,3,4,4-tetramethylisoquinoline
CID 23160881
2-quinolin-3-ylaniline
CID 4134401
3-(3,3-dimethyl-4H-isoquinolin-1-yl)-6,7-dimethylquinoline
CID 90308725
3-(2-methoxypyrimidin-5-yl)quinoline
CID 101347673
(E)-but-2-enedioic acid;5-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160793
3-phenyl-1-quinolin-3-yl-3-(trifluoromethyl)-4H-isoquinoline
CID 23160838
3,3,4,4-tetramethyl-2-oxido-1-quinolin-3-ylisoquinolin-2-ium
CID 87691120
CID 174439431
CID 174439431

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline?
The IUPAC name of 3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline (CID 23160875) is 3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline.
What is the SMILES notation for 3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline?
The canonical SMILES for 3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline is CC1c2ccccc2C(c2cnc3ccccc3c2)=NC1(C)C.
What is the InChIKey of 3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline?
The InChIKey is PERCAORRLZAQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-14-17-9-5-6-10-18(17)20(23-21(14,2)3)16-12-15-8-4-7-11-19(15)22-13-16/h4-14H,1-3H3.
What are the key properties of 3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline?
3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline has a molecular weight of 300.41 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline is sourced from PubChem (CID 23160875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).