6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one

C11H12ClNO — CID 53408407

IUPAC6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C11H12ClNO/c1-11(2)6-10(14)13-9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyRZYWXQQLMVXGQY-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.96
Rot. Bonds

About 6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one

6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one (PubChem CID 53408407) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one
PubChem CID53408407
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C11H12ClNO/c1-11(2)6-10(14)13-9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyRZYWXQQLMVXGQY-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The IUPAC name of 6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one (CID 53408407) is 6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for 6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one is CC1(C)CC(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one?
The InChIKey is RZYWXQQLMVXGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-11(2)6-10(14)13-9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one?
6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one has a molecular weight of 209.68 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 53408407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).