2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid

C16H19NO3 — CID 82247809

IUPAC2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid
SMILESCCC(C)n1c(C)c(CC(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C16H19NO3/c1-4-10(2)17-11(3)13(9-15(18)19)16(20)12-7-5-6-8-14(12)17/h5-8,10H,4,9H2,1-3H3,(H,18,19)
InChIKeyCCHQAJNJWSKFGY-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.91
Rot. Bonds4

About 2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid

2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid (PubChem CID 82247809) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid
PubChem CID82247809
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid
SMILESCCC(C)n1c(C)c(CC(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C16H19NO3/c1-4-10(2)17-11(3)13(9-15(18)19)16(20)12-7-5-6-8-14(12)17/h5-8,10H,4,9H2,1-3H3,(H,18,19)
InChIKeyCCHQAJNJWSKFGY-UHFFFAOYSA-N
XLogP2.91
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82242835
1-butan-2-yl-4-oxoquinoline-2-carboxylic acid
CID 82244126
2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid
CID 83860122
2-(2-methyl-1-nitrosoindol-3-yl)acetic acid
CID 175678995
2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid
CID 82250478
potassium;9-butan-2-ylcarbazole;methane;phosphanide;vanadium
CID 159100330
3-[6-(carboxymethyl)-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl]propanoic acid
CID 82240388
3-iodo-2-methyl-1-propan-2-ylquinolin-4-one
CID 176548683
2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid
CID 82240093
[2-methyl-1-(4-phenylsulfanylbutan-2-yl)indol-3-yl]-phenylmethanone
CID 70525880
2-(1-butan-2-yl-6-chloro-4-oxoquinolin-2-yl)acetic acid
CID 82251217
3-(3-benzoyl-2-methylindol-1-yl)butanal
CID 88732770

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid?
The IUPAC name of 2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid (CID 82247809) is 2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid is CCC(C)n1c(C)c(CC(=O)O)c(=O)c2ccccc21.
What is the InChIKey of 2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid?
The InChIKey is CCHQAJNJWSKFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-10(2)17-11(3)13(9-15(18)19)16(20)12-7-5-6-8-14(12)17/h5-8,10H,4,9H2,1-3H3,(H,18,19).
What are the key properties of 2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid?
2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid has a molecular weight of 273.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid is sourced from PubChem (CID 82247809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).