3-(3,3-dichloroprop-2-enyl)-2,8-dimethyl-1H-quinolin-4-one

C14H13Cl2NO — CID 760816

IUPAC3-(3,3-dichloroprop-2-enyl)-2,8-dimethyl-1H-quinolin-4-one
SMILESCc1[nH]c2c(C)cccc2c(=O)c1CC=C(Cl)Cl
InChIInChI=1S/C14H13Cl2NO/c1-8-4-3-5-11-13(8)17-9(2)10(14(11)18)6-7-12(15)16/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeyCUCTVWNNVFSGFJ-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.01
Rot. Bonds2

About 3-(3,3-dichloroprop-2-enyl)-2,8-dimethyl-1H-quinolin-4-one

3-(3,3-dichloroprop-2-enyl)-2,8-dimethyl-1H-quinolin-4-one (PubChem CID 760816) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 3-(3,3-dichloroprop-2-enyl)-2,8-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(3,3-dichloroprop-2-enyl)-2,8-dimethyl-1H-quinolin-4-one
PubChem CID760816
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name3-(3,3-dichloroprop-2-enyl)-2,8-dimethyl-1H-quinolin-4-one
SMILESCc1[nH]c2c(C)cccc2c(=O)c1CC=C(Cl)Cl
InChIInChI=1S/C14H13Cl2NO/c1-8-4-3-5-11-13(8)17-9(2)10(14(11)18)6-7-12(15)16/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeyCUCTVWNNVFSGFJ-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)-2,8-dimethyl-1H-quinolin-4-one?
The IUPAC name of 3-(3,3-dichloroprop-2-enyl)-2,8-dimethyl-1H-quinolin-4-one (CID 760816) is 3-(3,3-dichloroprop-2-enyl)-2,8-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3-(3,3-dichloroprop-2-enyl)-2,8-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 3-(3,3-dichloroprop-2-enyl)-2,8-dimethyl-1H-quinolin-4-one is Cc1[nH]c2c(C)cccc2c(=O)c1CC=C(Cl)Cl.
What is the InChIKey of 3-(3,3-dichloroprop-2-enyl)-2,8-dimethyl-1H-quinolin-4-one?
The InChIKey is CUCTVWNNVFSGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-8-4-3-5-11-13(8)17-9(2)10(14(11)18)6-7-12(15)16/h3-5,7H,6H2,1-2H3,(H,17,18).
What are the key properties of 3-(3,3-dichloroprop-2-enyl)-2,8-dimethyl-1H-quinolin-4-one?
3-(3,3-dichloroprop-2-enyl)-2,8-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)-2,8-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 760816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).