1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid

C14H18N2O3 — CID 62638451

IUPAC1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCNC(C)C(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H18N2O3/c1-9(15-2)13(17)16-7-3-4-10-8-11(14(18)19)5-6-12(10)16/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyAJGCEQUDCIYQJZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.27
Rot. Bonds3

About 1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid

1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 62638451) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID62638451
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCNC(C)C(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H18N2O3/c1-9(15-2)13(17)16-7-3-4-10-8-11(14(18)19)5-6-12(10)16/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyAJGCEQUDCIYQJZ-UHFFFAOYSA-N
XLogP1.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62638376
1-(2-aminopentanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157588
2-bromo-2-methyl-1-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one
CID 82258965
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157597
1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 103018179
1-[6-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 28803858
1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157599
1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 60759910
4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 112762141
1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325464
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 62834215

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 62638451) is 1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid is CNC(C)C(=O)N1CCCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is AJGCEQUDCIYQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(15-2)13(17)16-7-3-4-10-8-11(14(18)19)5-6-12(10)16/h5-6,8-9,15H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 62638451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).