2-ethyl-3-methyl-8-propan-2-yl-1H-quinolin-4-one

C15H19NO — CID 63561293

IUPAC2-ethyl-3-methyl-8-propan-2-yl-1H-quinolin-4-one
SMILESCCc1[nH]c2c(C(C)C)cccc2c(=O)c1C
InChIInChI=1S/C15H19NO/c1-5-13-10(4)15(17)12-8-6-7-11(9(2)3)14(12)16-13/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyRPXNBFZDHSRSAP-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.52
Rot. Bonds2

About 2-ethyl-3-methyl-8-propan-2-yl-1H-quinolin-4-one

2-ethyl-3-methyl-8-propan-2-yl-1H-quinolin-4-one (PubChem CID 63561293) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-ethyl-3-methyl-8-propan-2-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-ethyl-3-methyl-8-propan-2-yl-1H-quinolin-4-one
PubChem CID63561293
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-ethyl-3-methyl-8-propan-2-yl-1H-quinolin-4-one
SMILESCCc1[nH]c2c(C(C)C)cccc2c(=O)c1C
InChIInChI=1S/C15H19NO/c1-5-13-10(4)15(17)12-8-6-7-11(9(2)3)14(12)16-13/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyRPXNBFZDHSRSAP-UHFFFAOYSA-N
XLogP3.52
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-8-propan-2-yl-1H-quinolin-4-one?
The IUPAC name of 2-ethyl-3-methyl-8-propan-2-yl-1H-quinolin-4-one (CID 63561293) is 2-ethyl-3-methyl-8-propan-2-yl-1H-quinolin-4-one.
What is the SMILES notation for 2-ethyl-3-methyl-8-propan-2-yl-1H-quinolin-4-one?
The canonical SMILES for 2-ethyl-3-methyl-8-propan-2-yl-1H-quinolin-4-one is CCc1[nH]c2c(C(C)C)cccc2c(=O)c1C.
What is the InChIKey of 2-ethyl-3-methyl-8-propan-2-yl-1H-quinolin-4-one?
The InChIKey is RPXNBFZDHSRSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-5-13-10(4)15(17)12-8-6-7-11(9(2)3)14(12)16-13/h6-9H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-ethyl-3-methyl-8-propan-2-yl-1H-quinolin-4-one?
2-ethyl-3-methyl-8-propan-2-yl-1H-quinolin-4-one has a molecular weight of 229.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-8-propan-2-yl-1H-quinolin-4-one is sourced from PubChem (CID 63561293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).