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

C12H13NO — CID 130006565

IUPAC4-propan-2-yl-3H-quinolin-2-one
SMILESCC(C)C1=c2ccccc2=NC(=O)C1
InChIInChI=1S/C12H13NO/c1-8(2)10-7-12(14)13-11-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3
InChIKeySQYJOQQYQYXUNU-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.04
Rot. Bonds1

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

4-propan-2-yl-3H-quinolin-2-one (PubChem CID 130006565) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-propan-2-yl-3H-quinolin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-3H-quinolin-2-one
PubChem CID130006565
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-propan-2-yl-3H-quinolin-2-one
SMILESCC(C)C1=c2ccccc2=NC(=O)C1
InChIInChI=1S/C12H13NO/c1-8(2)10-7-12(14)13-11-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3
InChIKeySQYJOQQYQYXUNU-UHFFFAOYSA-N
XLogP1.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3H-quinolin-2-one?
The IUPAC name of 4-propan-2-yl-3H-quinolin-2-one (CID 130006565) is 4-propan-2-yl-3H-quinolin-2-one.
What is the SMILES notation for 4-propan-2-yl-3H-quinolin-2-one?
The canonical SMILES for 4-propan-2-yl-3H-quinolin-2-one is CC(C)C1=c2ccccc2=NC(=O)C1.
What is the InChIKey of 4-propan-2-yl-3H-quinolin-2-one?
The InChIKey is SQYJOQQYQYXUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8(2)10-7-12(14)13-11-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-propan-2-yl-3H-quinolin-2-one?
4-propan-2-yl-3H-quinolin-2-one has a molecular weight of 187.24 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3H-quinolin-2-one is sourced from PubChem (CID 130006565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).