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

C16H22N2O3 — CID 62834215

IUPAC1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCCNC(C)(C)C(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H22N2O3/c1-4-17-16(2,3)15(21)18-9-5-6-11-10-12(14(19)20)7-8-13(11)18/h7-8,10,17H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyVZZSCSOWALQLSX-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.05
Rot. Bonds4

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

1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 62834215) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID62834215
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCCNC(C)(C)C(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H22N2O3/c1-4-17-16(2,3)15(21)18-9-5-6-11-10-12(14(19)20)7-8-13(11)18/h7-8,10,17H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyVZZSCSOWALQLSX-UHFFFAOYSA-N
XLogP2.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 103018179
1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 60759910
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157597
1-[(E)-2-methylpent-2-enoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325445
1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 62638451
1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid
CID 79257375
1-(2-aminopentanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157588
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325464
1-[2-(2-methoxyethylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43359849
1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157599
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 62834215) is 1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid is CCNC(C)(C)C(=O)N1CCCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is VZZSCSOWALQLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-17-16(2,3)15(21)18-9-5-6-11-10-12(14(19)20)7-8-13(11)18/h7-8,10,17H,4-6,9H2,1-3H3,(H,19,20).
What are the key properties of 1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 62834215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).