5-butyl-8-methoxy-2-methyl-1H-quinolin-4-one

C15H19NO2 — CID 170654517

IUPAC5-butyl-8-methoxy-2-methyl-1H-quinolin-4-one
SMILESCCCCc1ccc(OC)c2[nH]c(C)cc(=O)c12
InChIInChI=1S/C15H19NO2/c1-4-5-6-11-7-8-13(18-3)15-14(11)12(17)9-10(2)16-15/h7-9H,4-6H2,1-3H3,(H,16,17)
InChIKeySUVCRTLYXSVYEH-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.19
Rot. Bonds4

About 5-butyl-8-methoxy-2-methyl-1H-quinolin-4-one

5-butyl-8-methoxy-2-methyl-1H-quinolin-4-one (PubChem CID 170654517) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-butyl-8-methoxy-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name5-butyl-8-methoxy-2-methyl-1H-quinolin-4-one
PubChem CID170654517
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-butyl-8-methoxy-2-methyl-1H-quinolin-4-one
SMILESCCCCc1ccc(OC)c2[nH]c(C)cc(=O)c12
InChIInChI=1S/C15H19NO2/c1-4-5-6-11-7-8-13(18-3)15-14(11)12(17)9-10(2)16-15/h7-9H,4-6H2,1-3H3,(H,16,17)
InChIKeySUVCRTLYXSVYEH-UHFFFAOYSA-N
XLogP3.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-8-methoxy-2-methyl-1H-quinolin-4-one?
The IUPAC name of 5-butyl-8-methoxy-2-methyl-1H-quinolin-4-one (CID 170654517) is 5-butyl-8-methoxy-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 5-butyl-8-methoxy-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 5-butyl-8-methoxy-2-methyl-1H-quinolin-4-one is CCCCc1ccc(OC)c2[nH]c(C)cc(=O)c12.
What is the InChIKey of 5-butyl-8-methoxy-2-methyl-1H-quinolin-4-one?
The InChIKey is SUVCRTLYXSVYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-5-6-11-7-8-13(18-3)15-14(11)12(17)9-10(2)16-15/h7-9H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 5-butyl-8-methoxy-2-methyl-1H-quinolin-4-one?
5-butyl-8-methoxy-2-methyl-1H-quinolin-4-one has a molecular weight of 245.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-8-methoxy-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 170654517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).