3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid

C16H21NO3 — CID 63106687

IUPAC3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid
SMILESCC(CCc1ccc2c(c1)CCC(=O)N2C)CC(=O)O
InChIInChI=1S/C16H21NO3/c1-11(9-16(19)20)3-4-12-5-7-14-13(10-12)6-8-15(18)17(14)2/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,19,20)
InChIKeyTZTWNOHNIFFCIZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.64
Rot. Bonds5

About 3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid

3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid (PubChem CID 63106687) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid
PubChem CID63106687
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid
SMILESCC(CCc1ccc2c(c1)CCC(=O)N2C)CC(=O)O
InChIInChI=1S/C16H21NO3/c1-11(9-16(19)20)3-4-12-5-7-14-13(10-12)6-8-15(18)17(14)2/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,19,20)
InChIKeyTZTWNOHNIFFCIZ-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
3,3-dimethyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid
CID 63106686
1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 82479603
1-methyl-6-(3-oxopentyl)-3,4-dihydroquinolin-2-one
CID 82479056
6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82190766
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 82471110
6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115229304
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-oxoacetamide
CID 115166541
3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
CID 82501036
3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82124052
2,2-dimethyl-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]propanamide
CID 110788697
2-chloro-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-N-(1-phenylethyl)acetamide
CID 166418649

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid?
The IUPAC name of 3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid (CID 63106687) is 3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid.
What is the SMILES notation for 3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid?
The canonical SMILES for 3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid is CC(CCc1ccc2c(c1)CCC(=O)N2C)CC(=O)O.
What is the InChIKey of 3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid?
The InChIKey is TZTWNOHNIFFCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(9-16(19)20)3-4-12-5-7-14-13(10-12)6-8-15(18)17(14)2/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid?
3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid is sourced from PubChem (CID 63106687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).