3-methyl-4-propan-2-yl-1H-quinolin-2-one

C13H15NO — CID 70906749

IUPAC3-methyl-4-propan-2-yl-1H-quinolin-2-one
SMILESCc1c(C(C)C)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H15NO/c1-8(2)12-9(3)13(15)14-11-7-5-4-6-10(11)12/h4-8H,1-3H3,(H,14,15)
InChIKeyYGECJFQOPNEYEB-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.96
Rot. Bonds1

About 3-methyl-4-propan-2-yl-1H-quinolin-2-one

3-methyl-4-propan-2-yl-1H-quinolin-2-one (PubChem CID 70906749) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-methyl-4-propan-2-yl-1H-quinolin-2-one
PubChem CID70906749
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-methyl-4-propan-2-yl-1H-quinolin-2-one
SMILESCc1c(C(C)C)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H15NO/c1-8(2)12-9(3)13(15)14-11-7-5-4-6-10(11)12/h4-8H,1-3H3,(H,14,15)
InChIKeyYGECJFQOPNEYEB-UHFFFAOYSA-N
XLogP2.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yl-1H-quinolin-2-one?
The IUPAC name of 3-methyl-4-propan-2-yl-1H-quinolin-2-one (CID 70906749) is 3-methyl-4-propan-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 3-methyl-4-propan-2-yl-1H-quinolin-2-one?
The canonical SMILES for 3-methyl-4-propan-2-yl-1H-quinolin-2-one is Cc1c(C(C)C)c2ccccc2[nH]c1=O.
What is the InChIKey of 3-methyl-4-propan-2-yl-1H-quinolin-2-one?
The InChIKey is YGECJFQOPNEYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-8(2)12-9(3)13(15)14-11-7-5-4-6-10(11)12/h4-8H,1-3H3,(H,14,15).
What are the key properties of 3-methyl-4-propan-2-yl-1H-quinolin-2-one?
3-methyl-4-propan-2-yl-1H-quinolin-2-one has a molecular weight of 201.27 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 70906749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).