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

C14H17NO — CID 143778562

IUPAC6-butan-2-yl-4-methyl-1H-quinolin-2-one
SMILESCCC(C)c1ccc2[nH]c(=O)cc(C)c2c1
InChIInChI=1S/C14H17NO/c1-4-9(2)11-5-6-13-12(8-11)10(3)7-14(16)15-13/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyAYKMRRVXKXGKTB-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.35
Rot. Bonds2

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

6-butan-2-yl-4-methyl-1H-quinolin-2-one (PubChem CID 143778562) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-butan-2-yl-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-butan-2-yl-4-methyl-1H-quinolin-2-one
PubChem CID143778562
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name6-butan-2-yl-4-methyl-1H-quinolin-2-one
SMILESCCC(C)c1ccc2[nH]c(=O)cc(C)c2c1
InChIInChI=1S/C14H17NO/c1-4-9(2)11-5-6-13-12(8-11)10(3)7-14(16)15-13/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyAYKMRRVXKXGKTB-UHFFFAOYSA-N
XLogP3.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-butan-2-yl-3-ethyl-2-methyl-1H-quinolin-4-one
CID 60999414
6-butan-2-yl-1H-3,1-benzoxazine-2,4-dione
CID 63109421
5-butan-2-yl-2-chloro-1H-indole-3-carbaldehyde
CID 3737570
2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine
CID 1381973
6-butan-2-yl-2-phenyl-1H-quinolin-4-one
CID 43668331
5-butan-2-yl-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3268342
6-butylsulfonyl-4-methyl-1H-quinolin-2-one
CID 50945018
ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
1,4-di(butan-2-yl)-2-methylbenzene
CID 58616694
2-[5-butan-2-yl-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 5180331
2-[5-butan-2-yl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
CID 4023025
2-[2-(4-bromophenyl)-5-butan-2-yl-1H-indol-3-yl]acetic acid
CID 3426446

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-4-methyl-1H-quinolin-2-one?
The IUPAC name of 6-butan-2-yl-4-methyl-1H-quinolin-2-one (CID 143778562) is 6-butan-2-yl-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-butan-2-yl-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-butan-2-yl-4-methyl-1H-quinolin-2-one is CCC(C)c1ccc2[nH]c(=O)cc(C)c2c1.
What is the InChIKey of 6-butan-2-yl-4-methyl-1H-quinolin-2-one?
The InChIKey is AYKMRRVXKXGKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-9(2)11-5-6-13-12(8-11)10(3)7-14(16)15-13/h5-9H,4H2,1-3H3,(H,15,16).
What are the key properties of 6-butan-2-yl-4-methyl-1H-quinolin-2-one?
6-butan-2-yl-4-methyl-1H-quinolin-2-one has a molecular weight of 215.30 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 143778562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).