2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid

C16H20N2O4 — CID 120519574

IUPAC2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C16H20N2O4/c1-3-8-18(10-15(20)21)16(22)12-4-6-13-11(9-12)5-7-14(19)17(13)2/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,20,21)
InChIKeyXARWHCKGUSMVGN-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.53
Rot. Bonds5

About 2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid

2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid (PubChem CID 120519574) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid
PubChem CID120519574
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C16H20N2O4/c1-3-8-18(10-15(20)21)16(22)12-4-6-13-11(9-12)5-7-14(19)17(13)2/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,20,21)
InChIKeyXARWHCKGUSMVGN-UHFFFAOYSA-N
XLogP1.53
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]butanoic acid
CID 120536392
3-bromo-1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propane-1,2-dione
CID 116822726
5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid
CID 63095218
6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116921112
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butane-1,3-dione
CID 82294637
4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-oxobut-2-enoic acid
CID 77054964
2-[(4-tert-butylbenzoyl)-propylamino]acetic acid
CID 61011522
1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one
CID 63097473
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
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetic acid
CID 61013428

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid (CID 120519574) is 2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid?
The InChIKey is XARWHCKGUSMVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-3-8-18(10-15(20)21)16(22)12-4-6-13-11(9-12)5-7-14(19)17(13)2/h4,6,9H,3,5,7-8,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid?
2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid has a molecular weight of 304.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 120519574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).