2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid

C17H21NO5 — CID 82240093

IUPAC2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid
SMILESCOc1cc(OC)c2c(c1)c(=O)c(CC(=O)O)c(C)n2C(C)C
InChIInChI=1S/C17H21NO5/c1-9(2)18-10(3)12(8-15(19)20)17(21)13-6-11(22-4)7-14(23-5)16(13)18/h6-7,9H,8H2,1-5H3,(H,19,20)
InChIKeyCOAURDGSENBPMF-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.54
Rot. Bonds5

About 2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid

2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid (PubChem CID 82240093) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid
PubChem CID82240093
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid
SMILESCOc1cc(OC)c2c(c1)c(=O)c(CC(=O)O)c(C)n2C(C)C
InChIInChI=1S/C17H21NO5/c1-9(2)18-10(3)12(8-15(19)20)17(21)13-6-11(22-4)7-14(23-5)16(13)18/h6-7,9H,8H2,1-5H3,(H,19,20)
InChIKeyCOAURDGSENBPMF-UHFFFAOYSA-N
XLogP2.54
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82248163
2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid
CID 82251467
1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one
CID 82500836
2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid
CID 117321866
3-(5-chloro-8-methoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)propanoic acid
CID 82240505
2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82247809
2-[5-methoxy-2-methyl-1-(2-methylpropyl)indol-3-yl]acetic acid
CID 23368755
2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid
CID 82250478
3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid
CID 82501282
propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate
CID 96708288
2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82248913
2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid
CID 82501280

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid?
The IUPAC name of 2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid (CID 82240093) is 2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid is COc1cc(OC)c2c(c1)c(=O)c(CC(=O)O)c(C)n2C(C)C.
What is the InChIKey of 2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid?
The InChIKey is COAURDGSENBPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-9(2)18-10(3)12(8-15(19)20)17(21)13-6-11(22-4)7-14(23-5)16(13)18/h6-7,9H,8H2,1-5H3,(H,19,20).
What are the key properties of 2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid?
2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid has a molecular weight of 319.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid is sourced from PubChem (CID 82240093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).