3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one

C14H13Cl2NO — CID 914861

IUPAC3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(C)c(CC=C(Cl)Cl)c(=O)c2c1
InChIInChI=1S/C14H13Cl2NO/c1-8-3-5-12-11(7-8)14(18)10(9(2)17-12)4-6-13(15)16/h3,5-7H,4H2,1-2H3,(H,17,18)
InChIKeyJZIXGIZLYKWDKB-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.01
Rot. Bonds2

About 3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one

3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one (PubChem CID 914861) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one
PubChem CID914861
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(C)c(CC=C(Cl)Cl)c(=O)c2c1
InChIInChI=1S/C14H13Cl2NO/c1-8-3-5-12-11(7-8)14(18)10(9(2)17-12)4-6-13(15)16/h3,5-7H,4H2,1-2H3,(H,17,18)
InChIKeyJZIXGIZLYKWDKB-UHFFFAOYSA-N
XLogP4.01
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one?
The IUPAC name of 3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one (CID 914861) is 3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one is Cc1ccc2[nH]c(C)c(CC=C(Cl)Cl)c(=O)c2c1.
What is the InChIKey of 3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one?
The InChIKey is JZIXGIZLYKWDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-8-3-5-12-11(7-8)14(18)10(9(2)17-12)4-6-13(15)16/h3,5-7H,4H2,1-2H3,(H,17,18).
What are the key properties of 3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one?
3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one has a molecular weight of 282.17 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dichloroprop-2-enyl)-2,6-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 914861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).