8-propyl-1H-quinolin-2-one

C12H13NO — CID 10877864

IUPAC8-propyl-1H-quinolin-2-one
SMILESCCCc1cccc2ccc(=O)[nH]c12
InChIInChI=1S/C12H13NO/c1-2-4-9-5-3-6-10-7-8-11(14)13-12(9)10/h3,5-8H,2,4H2,1H3,(H,13,14)
InChIKeyKBEGXAGMDSOPSK-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.48
Rot. Bonds2

About 8-propyl-1H-quinolin-2-one

8-propyl-1H-quinolin-2-one (PubChem CID 10877864) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 8-propyl-1H-quinolin-2-one.

Molecular Properties

Compound Name8-propyl-1H-quinolin-2-one
PubChem CID10877864
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name8-propyl-1H-quinolin-2-one
SMILESCCCc1cccc2ccc(=O)[nH]c12
InChIInChI=1S/C12H13NO/c1-2-4-9-5-3-6-10-7-8-11(14)13-12(9)10/h3,5-8H,2,4H2,1H3,(H,13,14)
InChIKeyKBEGXAGMDSOPSK-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 8-propyl-1H-quinolin-2-one?
The IUPAC name of 8-propyl-1H-quinolin-2-one (CID 10877864) is 8-propyl-1H-quinolin-2-one.
What is the SMILES notation for 8-propyl-1H-quinolin-2-one?
The canonical SMILES for 8-propyl-1H-quinolin-2-one is CCCc1cccc2ccc(=O)[nH]c12.
What is the InChIKey of 8-propyl-1H-quinolin-2-one?
The InChIKey is KBEGXAGMDSOPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-4-9-5-3-6-10-7-8-11(14)13-12(9)10/h3,5-8H,2,4H2,1H3,(H,13,14).
What are the key properties of 8-propyl-1H-quinolin-2-one?
8-propyl-1H-quinolin-2-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 8-propyl-1H-quinolin-2-one is sourced from PubChem (CID 10877864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).