4-methylpentyl 4-aminoquinoline-2-carboxylate

C16H20N2O2 — CID 115485965

IUPAC4-methylpentyl 4-aminoquinoline-2-carboxylate
SMILESCC(C)CCCOC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-11(2)6-5-9-20-16(19)15-10-13(17)12-7-3-4-8-14(12)18-15/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H2,17,18)
InChIKeyAYYXASAKMFTKQS-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.41
Rot. Bonds5

About 4-methylpentyl 4-aminoquinoline-2-carboxylate

4-methylpentyl 4-aminoquinoline-2-carboxylate (PubChem CID 115485965) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-methylpentyl 4-aminoquinoline-2-carboxylate.

Molecular Properties

Compound Name4-methylpentyl 4-aminoquinoline-2-carboxylate
PubChem CID115485965
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-methylpentyl 4-aminoquinoline-2-carboxylate
SMILESCC(C)CCCOC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-11(2)6-5-9-20-16(19)15-10-13(17)12-7-3-4-8-14(12)18-15/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H2,17,18)
InChIKeyAYYXASAKMFTKQS-UHFFFAOYSA-N
XLogP3.41
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.41
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

1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate
CID 115485979
2-cyclobutylethyl 4-aminoquinoline-2-carboxylate
CID 106202811
4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63375215
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide
CID 82941455
4-methylpentyl 6-chloropyridine-2-carboxylate
CID 63841499
2-(4-methylpentoxycarbonyl)benzoic acid
CID 22610620
4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
CID 113319901
4-amino-N-[1-(dimethylamino)propan-2-yl]quinoline-2-carboxamide
CID 82945143
4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide
CID 115751987
1-(4-methylpentoxy)isoquinoline-3-carboxylic acid
CID 43343320
1-(4-aminoquinolin-2-yl)nonan-1-one
CID 116603523

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 4-aminoquinoline-2-carboxylate?
The IUPAC name of 4-methylpentyl 4-aminoquinoline-2-carboxylate (CID 115485965) is 4-methylpentyl 4-aminoquinoline-2-carboxylate.
What is the SMILES notation for 4-methylpentyl 4-aminoquinoline-2-carboxylate?
The canonical SMILES for 4-methylpentyl 4-aminoquinoline-2-carboxylate is CC(C)CCCOC(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of 4-methylpentyl 4-aminoquinoline-2-carboxylate?
The InChIKey is AYYXASAKMFTKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)6-5-9-20-16(19)15-10-13(17)12-7-3-4-8-14(12)18-15/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H2,17,18).
What are the key properties of 4-methylpentyl 4-aminoquinoline-2-carboxylate?
4-methylpentyl 4-aminoquinoline-2-carboxylate has a molecular weight of 272.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 4-aminoquinoline-2-carboxylate is sourced from PubChem (CID 115485965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).