1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid

C15H19NO4 — CID 103018179

IUPAC1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCOC(C)(C)C(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H19NO4/c1-15(2,20-3)14(19)16-8-4-5-10-9-11(13(17)18)6-7-12(10)16/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyRHBTVAPBCSUBSX-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.09
Rot. Bonds3

About 1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid

1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 103018179) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID103018179
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCOC(C)(C)C(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H19NO4/c1-15(2,20-3)14(19)16-8-4-5-10-9-11(13(17)18)6-7-12(10)16/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyRHBTVAPBCSUBSX-UHFFFAOYSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 60759910
1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 62834215
1-[2-(2-methoxyethylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43359849
1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 62638451
1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325464
1-(2-aminopentanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157588
1-[1-(aminomethyl)cyclobutanecarbonyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 115448262
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157597
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157599
methyl 1-(3,3-dimethylbutanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917336
1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325444

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 103018179) is 1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid is COC(C)(C)C(=O)N1CCCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is RHBTVAPBCSUBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2,20-3)14(19)16-8-4-5-10-9-11(13(17)18)6-7-12(10)16/h6-7,9H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 103018179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).