2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline

C23H26N2O — CID 69092650

IUPAC2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline
SMILESCc1ccc2c(c1)C(C)(C)C(C)(C)N(O)C2c1cnc2ccccc2c1
InChIInChI=1S/C23H26N2O/c1-15-10-11-18-19(12-15)22(2,3)23(4,5)25(26)21(18)17-13-16-8-6-7-9-20(16)24-14-17/h6-14,21,26H,1-5H3
InChIKeyXMWDPUBDFGSFNM-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.39
Rot. Bonds1

About 2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline

2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline (PubChem CID 69092650) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline.

Molecular Properties

Compound Name2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline
PubChem CID69092650
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline
SMILESCc1ccc2c(c1)C(C)(C)C(C)(C)N(O)C2c1cnc2ccccc2c1
InChIInChI=1S/C23H26N2O/c1-15-10-11-18-19(12-15)22(2,3)23(4,5)25(26)21(18)17-13-16-8-6-7-9-20(16)24-14-17/h6-14,21,26H,1-5H3
InChIKeyXMWDPUBDFGSFNM-UHFFFAOYSA-N
XLogP5.39
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-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-Dimethylaminostyryl)quinoline
CID 668053
Phenanthridine
CID 9189
Benzo(h)quinoline
CID 9191
Cryptocyanin
CID 5351156
6-(4-Pyridylmethyl)-8-(3-nitrophenyl)quinoline
CID 9819356
6,6'-Biquinoline
CID 620711
Quinolinium, 4-(p-dimethylaminostyryl)-1-methyl-
CID 1405133
4-(3,4-Dihydro-1H-isoquinolin-2-yl)-quinoline
CID 18326767
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyridin-3-yl)quinoline
CID 11645396
(R)-2-(6-methylpyridin-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 25156194
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyridin-4-yl)quinoline
CID 46890523
2-Isoquinolin-3-ylquinoline
CID 620696

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline?
The IUPAC name of 2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline (CID 69092650) is 2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline.
What is the SMILES notation for 2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline?
The canonical SMILES for 2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline is Cc1ccc2c(c1)C(C)(C)C(C)(C)N(O)C2c1cnc2ccccc2c1.
What is the InChIKey of 2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline?
The InChIKey is XMWDPUBDFGSFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-15-10-11-18-19(12-15)22(2,3)23(4,5)25(26)21(18)17-13-16-8-6-7-9-20(16)24-14-17/h6-14,21,26H,1-5H3.
What are the key properties of 2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline?
2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline has a molecular weight of 346.47 g/mol, XLogP of 5.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline is sourced from PubChem (CID 69092650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).