4-butyl-6-methyl-1H-quinolin-2-one

C14H17NO — CID 166443059

IUPAC4-butyl-6-methyl-1H-quinolin-2-one
SMILESCCCCc1cc(=O)[nH]c2ccc(C)cc12
InChIInChI=1S/C14H17NO/c1-3-4-5-11-9-14(16)15-13-7-6-10(2)8-12(11)13/h6-9H,3-5H2,1-2H3,(H,15,16)
InChIKeyVAFWIMXADGNVGC-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.18
Rot. Bonds3

About 4-butyl-6-methyl-1H-quinolin-2-one

4-butyl-6-methyl-1H-quinolin-2-one (PubChem CID 166443059) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-butyl-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-butyl-6-methyl-1H-quinolin-2-one
PubChem CID166443059
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-butyl-6-methyl-1H-quinolin-2-one
SMILESCCCCc1cc(=O)[nH]c2ccc(C)cc12
InChIInChI=1S/C14H17NO/c1-3-4-5-11-9-14(16)15-13-7-6-10(2)8-12(11)13/h6-9H,3-5H2,1-2H3,(H,15,16)
InChIKeyVAFWIMXADGNVGC-UHFFFAOYSA-N
XLogP3.18
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-methyl-1H-quinolin-2-one?
The IUPAC name of 4-butyl-6-methyl-1H-quinolin-2-one (CID 166443059) is 4-butyl-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 4-butyl-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 4-butyl-6-methyl-1H-quinolin-2-one is CCCCc1cc(=O)[nH]c2ccc(C)cc12.
What is the InChIKey of 4-butyl-6-methyl-1H-quinolin-2-one?
The InChIKey is VAFWIMXADGNVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-4-5-11-9-14(16)15-13-7-6-10(2)8-12(11)13/h6-9H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4-butyl-6-methyl-1H-quinolin-2-one?
4-butyl-6-methyl-1H-quinolin-2-one has a molecular weight of 215.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 166443059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).