2-hydroxy-3,3,4,4-tetramethyl-1-quinolin-3-yl-1H-isoquinoline

C22H24N2O — CID 69092915

IUPAC2-hydroxy-3,3,4,4-tetramethyl-1-quinolin-3-yl-1H-isoquinoline
SMILESCC1(C)c2ccccc2C(c2cnc3ccccc3c2)N(O)C1(C)C
InChIInChI=1S/C22H24N2O/c1-21(2)18-11-7-6-10-17(18)20(24(25)22(21,3)4)16-13-15-9-5-8-12-19(15)23-14-16/h5-14,20,25H,1-4H3
InChIKeyJJAUJWQTXDAKDM-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.09
Rot. Bonds1

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

2-hydroxy-3,3,4,4-tetramethyl-1-quinolin-3-yl-1H-isoquinoline (PubChem CID 69092915) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-hydroxy-3,3,4,4-tetramethyl-1-quinolin-3-yl-1H-isoquinoline.

Molecular Properties

Compound Name2-hydroxy-3,3,4,4-tetramethyl-1-quinolin-3-yl-1H-isoquinoline
PubChem CID69092915
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name2-hydroxy-3,3,4,4-tetramethyl-1-quinolin-3-yl-1H-isoquinoline
SMILESCC1(C)c2ccccc2C(c2cnc3ccccc3c2)N(O)C1(C)C
InChIInChI=1S/C22H24N2O/c1-21(2)18-11-7-6-10-17(18)20(24(25)22(21,3)4)16-13-15-9-5-8-12-19(15)23-14-16/h5-14,20,25H,1-4H3
InChIKeyJJAUJWQTXDAKDM-UHFFFAOYSA-N
XLogP5.09
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline
CID 69092650
3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline
CID 142330798
3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol
CID 107089667
3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one
CID 71426559
(3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol
CID 23160849
3-[(2S)-aziridin-2-yl]quinoline
CID 55263274
2-quinolin-3-ylcyclopropane-1-carboxylic acid
CID 67290101
3-[(2S)-azetidin-2-yl]quinoline
CID 55278758
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
3-quinolin-3-ylcyclobutan-1-amine
CID 116985150
1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone
CID 124500175
3-methyl-3-quinolin-3-ylcyclopentan-1-ol
CID 116539964

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,3,4,4-tetramethyl-1-quinolin-3-yl-1H-isoquinoline?
The IUPAC name of 2-hydroxy-3,3,4,4-tetramethyl-1-quinolin-3-yl-1H-isoquinoline (CID 69092915) is 2-hydroxy-3,3,4,4-tetramethyl-1-quinolin-3-yl-1H-isoquinoline.
What is the SMILES notation for 2-hydroxy-3,3,4,4-tetramethyl-1-quinolin-3-yl-1H-isoquinoline?
The canonical SMILES for 2-hydroxy-3,3,4,4-tetramethyl-1-quinolin-3-yl-1H-isoquinoline is CC1(C)c2ccccc2C(c2cnc3ccccc3c2)N(O)C1(C)C.
What is the InChIKey of 2-hydroxy-3,3,4,4-tetramethyl-1-quinolin-3-yl-1H-isoquinoline?
The InChIKey is JJAUJWQTXDAKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-21(2)18-11-7-6-10-17(18)20(24(25)22(21,3)4)16-13-15-9-5-8-12-19(15)23-14-16/h5-14,20,25H,1-4H3.
What are the key properties of 2-hydroxy-3,3,4,4-tetramethyl-1-quinolin-3-yl-1H-isoquinoline?
2-hydroxy-3,3,4,4-tetramethyl-1-quinolin-3-yl-1H-isoquinoline has a molecular weight of 332.45 g/mol, XLogP of 5.09, 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-tetramethyl-1-quinolin-3-yl-1H-isoquinoline is sourced from PubChem (CID 69092915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).