methyl 6-(quinolin-4-ylamino)hexanoate

C16H20N2O2 — CID 62005474

IUPACmethyl 6-(quinolin-4-ylamino)hexanoate
SMILESCOC(=O)CCCCCNc1ccnc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-20-16(19)9-3-2-6-11-17-15-10-12-18-14-8-5-4-7-13(14)15/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3,(H,17,18)
InChIKeyVZYHZHBCBZWFJB-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.38
Rot. Bonds7

About methyl 6-(quinolin-4-ylamino)hexanoate

methyl 6-(quinolin-4-ylamino)hexanoate (PubChem CID 62005474) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is methyl 6-(quinolin-4-ylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(quinolin-4-ylamino)hexanoate
PubChem CID62005474
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Namemethyl 6-(quinolin-4-ylamino)hexanoate
SMILESCOC(=O)CCCCCNc1ccnc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-20-16(19)9-3-2-6-11-17-15-10-12-18-14-8-5-4-7-13(14)15/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3,(H,17,18)
InChIKeyVZYHZHBCBZWFJB-UHFFFAOYSA-N
XLogP3.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate
CID 60716333
N-(5-chloropentyl)quinolin-4-amine
CID 107320544
N'-quinolin-4-ylpentane-1,5-diamine
CID 107323516
methyl 4-(quinolin-4-ylmethylamino)butanoate
CID 63867501
methyl 6-[(3-chloro-4-pyridinyl)amino]hexanoate
CID 79840643
methyl 6-[(5-bromoisoquinolin-1-yl)amino]hexanoate
CID 106541889
N-methyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62658935
6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine
CID 118576144
methyl 6-isoquinolin-1-ylhexanoate
CID 18979293
methyl 3-(cinnolin-4-ylamino)propanoate
CID 63588842
N-hexyl-8-methoxyquinolin-4-amine;8-methoxy-N-(4-methoxybutyl)quinolin-4-amine;8-methoxy-N-(6-methoxyhexyl)quinolin-4-amine;N-(5-methoxypentyl)quinolin-4-amine
CID 159618748
methyl 6-(phthalazin-1-ylamino)hexanoate
CID 60631363

Frequently Asked Questions

What is the IUPAC name of methyl 6-(quinolin-4-ylamino)hexanoate?
The IUPAC name of methyl 6-(quinolin-4-ylamino)hexanoate (CID 62005474) is methyl 6-(quinolin-4-ylamino)hexanoate.
What is the SMILES notation for methyl 6-(quinolin-4-ylamino)hexanoate?
The canonical SMILES for methyl 6-(quinolin-4-ylamino)hexanoate is COC(=O)CCCCCNc1ccnc2ccccc12.
What is the InChIKey of methyl 6-(quinolin-4-ylamino)hexanoate?
The InChIKey is VZYHZHBCBZWFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-16(19)9-3-2-6-11-17-15-10-12-18-14-8-5-4-7-13(14)15/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3,(H,17,18).
What are the key properties of methyl 6-(quinolin-4-ylamino)hexanoate?
methyl 6-(quinolin-4-ylamino)hexanoate has a molecular weight of 272.35 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(quinolin-4-ylamino)hexanoate is sourced from PubChem (CID 62005474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).