3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one

C20H18N2O — CID 71426612

IUPAC3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one
SMILESCC1(C)Cc2ccccc2N(c2cnc3ccccc3c2)C1=O
InChIInChI=1S/C20H18N2O/c1-20(2)12-15-8-4-6-10-18(15)22(19(20)23)16-11-14-7-3-5-9-17(14)21-13-16/h3-11,13H,12H2,1-2H3
InChIKeyHCKSHUXPMYDYCU-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.48
Rot. Bonds1

About 3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one

3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one (PubChem CID 71426612) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one
PubChem CID71426612
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one
SMILESCC1(C)Cc2ccccc2N(c2cnc3ccccc3c2)C1=O
InChIInChI=1S/C20H18N2O/c1-20(2)12-15-8-4-6-10-18(15)22(19(20)23)16-11-14-7-3-5-9-17(14)21-13-16/h3-11,13H,12H2,1-2H3
InChIKeyHCKSHUXPMYDYCU-UHFFFAOYSA-N
XLogP4.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one?
The IUPAC name of 3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one (CID 71426612) is 3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one?
The canonical SMILES for 3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one is CC1(C)Cc2ccccc2N(c2cnc3ccccc3c2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one?
The InChIKey is HCKSHUXPMYDYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-20(2)12-15-8-4-6-10-18(15)22(19(20)23)16-11-14-7-3-5-9-17(14)21-13-16/h3-11,13H,12H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one?
3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one has a molecular weight of 302.38 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one is sourced from PubChem (CID 71426612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).