7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one

C13H13Cl2NO — CID 62914964

IUPAC7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one
SMILESCc1[nH]c2c(Cl)c(Cl)ccc2c(=O)c1C(C)C
InChIInChI=1S/C13H13Cl2NO/c1-6(2)10-7(3)16-12-8(13(10)17)4-5-9(14)11(12)15/h4-6H,1-3H3,(H,16,17)
InChIKeyWZWIVIYTYOCVKD-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.27
Rot. Bonds1

About 7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one

7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one (PubChem CID 62914964) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one
PubChem CID62914964
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one
SMILESCc1[nH]c2c(Cl)c(Cl)ccc2c(=O)c1C(C)C
InChIInChI=1S/C13H13Cl2NO/c1-6(2)10-7(3)16-12-8(13(10)17)4-5-9(14)11(12)15/h4-6H,1-3H3,(H,16,17)
InChIKeyWZWIVIYTYOCVKD-UHFFFAOYSA-N
XLogP4.27
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one?
The IUPAC name of 7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one (CID 62914964) is 7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one.
What is the SMILES notation for 7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one?
The canonical SMILES for 7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one is Cc1[nH]c2c(Cl)c(Cl)ccc2c(=O)c1C(C)C.
What is the InChIKey of 7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one?
The InChIKey is WZWIVIYTYOCVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-6(2)10-7(3)16-12-8(13(10)17)4-5-9(14)11(12)15/h4-6H,1-3H3,(H,16,17).
What are the key properties of 7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one?
7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one has a molecular weight of 270.16 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one is sourced from PubChem (CID 62914964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).