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

C16H22N2O3 — CID 61157599

IUPAC1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCCCCC(N)C(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H22N2O3/c1-2-3-6-13(17)15(19)18-9-4-5-11-10-12(16(20)21)7-8-14(11)18/h7-8,10,13H,2-6,9,17H2,1H3,(H,20,21)
InChIKeyLETVSBXXOKJJFO-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.18
Rot. Bonds5

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

1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 61157599) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID61157599
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCCCCC(N)C(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H22N2O3/c1-2-3-6-13(17)15(19)18-9-4-5-11-10-12(16(20)21)7-8-14(11)18/h7-8,10,13H,2-6,9,17H2,1H3,(H,20,21)
InChIKeyLETVSBXXOKJJFO-UHFFFAOYSA-N
XLogP2.18
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminopentanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157588
(2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 107569298
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 62638451
2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride
CID 119313316
2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one
CID 119280348
1-[6-(2-bromo-2-methylpropanoyl)-3,4-dihydro-2H-quinolin-1-yl]pentan-1-one
CID 82258964
1-(2-aminobutanoyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382387
2-amino-4-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 24702474
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157597
1-[6-(2-bromo-2-methylpropanoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-ethylbutan-1-one
CID 82258967
1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 103018179

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 61157599) is 1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid is CCCCC(N)C(=O)N1CCCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is LETVSBXXOKJJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-3-6-13(17)15(19)18-9-4-5-11-10-12(16(20)21)7-8-14(11)18/h7-8,10,13H,2-6,9,17H2,1H3,(H,20,21).
What are the key properties of 1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 61157599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).