3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one

C23H24N2O — CID 71426559

IUPAC3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one
SMILESCc1cccc2c1N(c1cnc3ccccc3c1)C(=O)C(C)(C)C2(C)C
InChIInChI=1S/C23H24N2O/c1-15-9-8-11-18-20(15)25(21(26)23(4,5)22(18,2)3)17-13-16-10-6-7-12-19(16)24-14-17/h6-14H,1-5H3
InChIKeyWXEHYCDLDYDJDQ-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.53
Rot. Bonds1

About 3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one

3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one (PubChem CID 71426559) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one.

Molecular Properties

Compound Name3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one
PubChem CID71426559
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one
SMILESCc1cccc2c1N(c1cnc3ccccc3c1)C(=O)C(C)(C)C2(C)C
InChIInChI=1S/C23H24N2O/c1-15-9-8-11-18-20(15)25(21(26)23(4,5)22(18,2)3)17-13-16-10-6-7-12-19(16)24-14-17/h6-14H,1-5H3
InChIKeyWXEHYCDLDYDJDQ-UHFFFAOYSA-N
XLogP5.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one?
The IUPAC name of 3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one (CID 71426559) is 3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one.
What is the SMILES notation for 3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one?
The canonical SMILES for 3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one is Cc1cccc2c1N(c1cnc3ccccc3c1)C(=O)C(C)(C)C2(C)C.
What is the InChIKey of 3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one?
The InChIKey is WXEHYCDLDYDJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-15-9-8-11-18-20(15)25(21(26)23(4,5)22(18,2)3)17-13-16-10-6-7-12-19(16)24-14-17/h6-14H,1-5H3.
What are the key properties of 3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one?
3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one has a molecular weight of 344.46 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,8-pentamethyl-1-quinolin-3-ylquinolin-2-one is sourced from PubChem (CID 71426559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).