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

C15H17NO4 — CID 63095218

IUPAC5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid
SMILESCN1C(=O)CCc2cc(C(=O)CCCC(=O)O)ccc21
InChIInChI=1S/C15H17NO4/c1-16-12-7-5-11(9-10(12)6-8-14(16)18)13(17)3-2-4-15(19)20/h5,7,9H,2-4,6,8H2,1H3,(H,19,20)
InChIKeyCUBPDIRKOBJAAW-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.03
Rot. Bonds5

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

5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid (PubChem CID 63095218) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid
PubChem CID63095218
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid
SMILESCN1C(=O)CCc2cc(C(=O)CCCC(=O)O)ccc21
InChIInChI=1S/C15H17NO4/c1-16-12-7-5-11(9-10(12)6-8-14(16)18)13(17)3-2-4-15(19)20/h5,7,9H,2-4,6,8H2,1H3,(H,19,20)
InChIKeyCUBPDIRKOBJAAW-UHFFFAOYSA-N
XLogP2.03
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butane-1,3-dione
CID 82294637
6-(4-aminopentanoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116916203
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid
CID 120536392
4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-oxobut-2-enoic acid
CID 77054964
6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116921112
3-bromo-1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propane-1,2-dione
CID 116822726
1-methyl-6-(1-methylcyclopropanecarbonyl)-3,4-dihydroquinolin-2-one
CID 82293701
1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one
CID 82284659
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
CID 82501036
3-hydroxypropyl 1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylate
CID 116863021

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid (CID 63095218) is 5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid is CN1C(=O)CCc2cc(C(=O)CCCC(=O)O)ccc21.
What is the InChIKey of 5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid?
The InChIKey is CUBPDIRKOBJAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-16-12-7-5-11(9-10(12)6-8-14(16)18)13(17)3-2-4-15(19)20/h5,7,9H,2-4,6,8H2,1H3,(H,19,20).
What are the key properties of 5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid?
5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid has a molecular weight of 275.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid is sourced from PubChem (CID 63095218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).