2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one

C22H22N2O — CID 135152679

IUPAC2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one
SMILESCC1(C)N=C(c2cc(=O)c3ccccc3[nH]2)c2ccccc2C1(C)C
InChIInChI=1S/C22H22N2O/c1-21(2)16-11-7-5-9-14(16)20(24-22(21,3)4)18-13-19(25)15-10-6-8-12-17(15)23-18/h5-13H,1-4H3,(H,23,25)
InChIKeyPFSULGFTQSCBNZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.44
Rot. Bonds1

About 2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one

2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one (PubChem CID 135152679) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one
PubChem CID135152679
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one
SMILESCC1(C)N=C(c2cc(=O)c3ccccc3[nH]2)c2ccccc2C1(C)C
InChIInChI=1S/C22H22N2O/c1-21(2)16-11-7-5-9-14(16)20(24-22(21,3)4)18-13-19(25)15-10-6-8-12-17(15)23-18/h5-13H,1-4H3,(H,23,25)
InChIKeyPFSULGFTQSCBNZ-UHFFFAOYSA-N
XLogP4.44
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one?
The IUPAC name of 2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one (CID 135152679) is 2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one?
The canonical SMILES for 2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one is CC1(C)N=C(c2cc(=O)c3ccccc3[nH]2)c2ccccc2C1(C)C.
What is the InChIKey of 2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one?
The InChIKey is PFSULGFTQSCBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-21(2)16-11-7-5-9-14(16)20(24-22(21,3)4)18-13-19(25)15-10-6-8-12-17(15)23-18/h5-13H,1-4H3,(H,23,25).
What are the key properties of 2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one?
2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one has a molecular weight of 330.43 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one is sourced from PubChem (CID 135152679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).