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

C15H19NO2 — CID 46886337

IUPAC3-propan-2-yl-4-propan-2-yloxy-1H-quinolin-2-one
SMILESCC(C)Oc1c(C(C)C)c(=O)[nH]c2ccccc12
InChIInChI=1S/C15H19NO2/c1-9(2)13-14(18-10(3)4)11-7-5-6-8-12(11)16-15(13)17/h5-10H,1-4H3,(H,16,17)
InChIKeySQJQJZCVDBEQSZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.44
Rot. Bonds3

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

3-propan-2-yl-4-propan-2-yloxy-1H-quinolin-2-one (PubChem CID 46886337) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-propan-2-yl-4-propan-2-yloxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-4-propan-2-yloxy-1H-quinolin-2-one
PubChem CID46886337
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-propan-2-yl-4-propan-2-yloxy-1H-quinolin-2-one
SMILESCC(C)Oc1c(C(C)C)c(=O)[nH]c2ccccc12
InChIInChI=1S/C15H19NO2/c1-9(2)13-14(18-10(3)4)11-7-5-6-8-12(11)16-15(13)17/h5-10H,1-4H3,(H,16,17)
InChIKeySQJQJZCVDBEQSZ-UHFFFAOYSA-N
XLogP3.44
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4-propan-2-yloxy-1H-quinolin-2-one?
The IUPAC name of 3-propan-2-yl-4-propan-2-yloxy-1H-quinolin-2-one (CID 46886337) is 3-propan-2-yl-4-propan-2-yloxy-1H-quinolin-2-one.
What is the SMILES notation for 3-propan-2-yl-4-propan-2-yloxy-1H-quinolin-2-one?
The canonical SMILES for 3-propan-2-yl-4-propan-2-yloxy-1H-quinolin-2-one is CC(C)Oc1c(C(C)C)c(=O)[nH]c2ccccc12.
What is the InChIKey of 3-propan-2-yl-4-propan-2-yloxy-1H-quinolin-2-one?
The InChIKey is SQJQJZCVDBEQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9(2)13-14(18-10(3)4)11-7-5-6-8-12(11)16-15(13)17/h5-10H,1-4H3,(H,16,17).
What are the key properties of 3-propan-2-yl-4-propan-2-yloxy-1H-quinolin-2-one?
3-propan-2-yl-4-propan-2-yloxy-1H-quinolin-2-one has a molecular weight of 245.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4-propan-2-yloxy-1H-quinolin-2-one is sourced from PubChem (CID 46886337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).