6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid

C16H24N2O2 — CID 82539109

IUPAC6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid
SMILESCN1CCCc2cc(NCCCCCC(=O)O)ccc21
InChIInChI=1S/C16H24N2O2/c1-18-11-5-6-13-12-14(8-9-15(13)18)17-10-4-2-3-7-16(19)20/h8-9,12,17H,2-7,10-11H2,1H3,(H,19,20)
InChIKeyGPYCBBCNVBHGGO-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.13
Rot. Bonds7

About 6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid

6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid (PubChem CID 82539109) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid
PubChem CID82539109
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid
SMILESCN1CCCc2cc(NCCCCCC(=O)O)ccc21
InChIInChI=1S/C16H24N2O2/c1-18-11-5-6-13-12-14(8-9-15(13)18)17-10-4-2-3-7-16(19)20/h8-9,12,17H,2-7,10-11H2,1H3,(H,19,20)
InChIKeyGPYCBBCNVBHGGO-UHFFFAOYSA-N
XLogP3.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid
CID 82539115
5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid
CID 115218869
N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine
CID 82539703
3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol
CID 82539750
N-[2-(4-chlorophenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 110452234
1-(5-hydroxy-4,4-dimethylpentyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
CID 111474294
N-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 110452277
3-[(1-methyl-2-oxo-3H-indol-5-yl)amino]propanoic acid
CID 82496248
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid
CID 122078494
5-(3,4-difluoroanilino)pentanoic acid
CID 28972140
1-(3-hydroxybutyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
CID 111336905
6-(naphthalen-2-ylamino)hexanoic acid
CID 14979105

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid?
The IUPAC name of 6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid (CID 82539109) is 6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid is CN1CCCc2cc(NCCCCCC(=O)O)ccc21.
What is the InChIKey of 6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid?
The InChIKey is GPYCBBCNVBHGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18-11-5-6-13-12-14(8-9-15(13)18)17-10-4-2-3-7-16(19)20/h8-9,12,17H,2-7,10-11H2,1H3,(H,19,20).
What are the key properties of 6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid?
6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid has a molecular weight of 276.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid is sourced from PubChem (CID 82539109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).