6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one

C16H21NO — CID 60999414

IUPAC6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one
SMILESCCc1c(C)[nH]c2ccc(C(C)CC)cc2c1=O
InChIInChI=1S/C16H21NO/c1-5-10(3)12-7-8-15-14(9-12)16(18)13(6-2)11(4)17-15/h7-10H,5-6H2,1-4H3,(H,17,18)
InChIKeyQOZGRDXIMVVLIX-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.91
Rot. Bonds3

About 6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one

6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one (PubChem CID 60999414) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one
PubChem CID60999414
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one
SMILESCCc1c(C)[nH]c2ccc(C(C)CC)cc2c1=O
InChIInChI=1S/C16H21NO/c1-5-10(3)12-7-8-15-14(9-12)16(18)13(6-2)11(4)17-15/h7-10H,5-6H2,1-4H3,(H,17,18)
InChIKeyQOZGRDXIMVVLIX-UHFFFAOYSA-N
XLogP3.91
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-butan-2-yl-4-methyl-1H-quinolin-2-one
CID 143778562
2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine
CID 1381973
6-butan-2-yl-1H-3,1-benzoxazine-2,4-dione
CID 63109421
ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 927791
3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one
CID 60999159
6-butan-2-yl-2-phenyl-1H-quinolin-4-one
CID 43668331
5-butan-2-yl-2-chloro-1H-indole-3-carbaldehyde
CID 3737570
2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole
CID 102497800
2-[5-butan-2-yl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
CID 4023025
3-[[bis(2-methylpropyl)amino]methyl]-2,6-dimethyl-1H-quinolin-4-one
CID 728856
(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
CID 3557128
2-[5-butan-2-yl-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 5180331

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one?
The IUPAC name of 6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one (CID 60999414) is 6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one is CCc1c(C)[nH]c2ccc(C(C)CC)cc2c1=O.
What is the InChIKey of 6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one?
The InChIKey is QOZGRDXIMVVLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-5-10(3)12-7-8-15-14(9-12)16(18)13(6-2)11(4)17-15/h7-10H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one?
6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one has a molecular weight of 243.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 60999414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).