2-propyl-1H-quinolin-4-one

C12H13NO — CID 12798219

IUPAC2-propyl-1H-quinolin-4-one
SMILESCCCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C12H13NO/c1-2-5-9-8-12(14)10-6-3-4-7-11(10)13-9/h3-4,6-8H,2,5H2,1H3,(H,13,14)
InChIKeyASGOXASWRFTXHV-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.48
Rot. Bonds2

About 2-propyl-1H-quinolin-4-one

2-propyl-1H-quinolin-4-one (PubChem CID 12798219) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-propyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-propyl-1H-quinolin-4-one
PubChem CID12798219
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-propyl-1H-quinolin-4-one
SMILESCCCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C12H13NO/c1-2-5-9-8-12(14)10-6-3-4-7-11(10)13-9/h3-4,6-8H,2,5H2,1H3,(H,13,14)
InChIKeyASGOXASWRFTXHV-UHFFFAOYSA-N
XLogP2.48
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1H-quinolin-4-one?
The IUPAC name of 2-propyl-1H-quinolin-4-one (CID 12798219) is 2-propyl-1H-quinolin-4-one.
What is the SMILES notation for 2-propyl-1H-quinolin-4-one?
The canonical SMILES for 2-propyl-1H-quinolin-4-one is CCCc1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-propyl-1H-quinolin-4-one?
The InChIKey is ASGOXASWRFTXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-5-9-8-12(14)10-6-3-4-7-11(10)13-9/h3-4,6-8H,2,5H2,1H3,(H,13,14).
What are the key properties of 2-propyl-1H-quinolin-4-one?
2-propyl-1H-quinolin-4-one has a molecular weight of 187.24 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1H-quinolin-4-one is sourced from PubChem (CID 12798219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).