2-cyclobutylethyl 4-aminoquinoline-2-carboxylate

C16H18N2O2 — CID 106202811

IUPAC2-cyclobutylethyl 4-aminoquinoline-2-carboxylate
SMILESNc1cc(C(=O)OCCC2CCC2)nc2ccccc12
InChIInChI=1S/C16H18N2O2/c17-13-10-15(18-14-7-2-1-6-12(13)14)16(19)20-9-8-11-4-3-5-11/h1-2,6-7,10-11H,3-5,8-9H2,(H2,17,18)
InChIKeyQXPZXWSMSWDIPR-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.16
Rot. Bonds4

About 2-cyclobutylethyl 4-aminoquinoline-2-carboxylate

2-cyclobutylethyl 4-aminoquinoline-2-carboxylate (PubChem CID 106202811) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-cyclobutylethyl 4-aminoquinoline-2-carboxylate.

Molecular Properties

Compound Name2-cyclobutylethyl 4-aminoquinoline-2-carboxylate
PubChem CID106202811
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-cyclobutylethyl 4-aminoquinoline-2-carboxylate
SMILESNc1cc(C(=O)OCCC2CCC2)nc2ccccc12
InChIInChI=1S/C16H18N2O2/c17-13-10-15(18-14-7-2-1-6-12(13)14)16(19)20-9-8-11-4-3-5-11/h1-2,6-7,10-11H,3-5,8-9H2,(H2,17,18)
InChIKeyQXPZXWSMSWDIPR-UHFFFAOYSA-N
XLogP3.16
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyclobutylethoxy)quinoline-2-carboxylic acid
CID 106200390
4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
CID 63375463
4-methylpentyl 4-aminoquinoline-2-carboxylate
CID 115485965
(4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone
CID 116603535
4-amino-N-cyclopentyloxyquinoline-2-carboxamide
CID 83216868
cyclopentylmethyl 4-chloroquinoline-2-carboxylate
CID 66323375
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate
CID 115485979
cyclopropylmethyl 4-chloroquinoline-2-carboxylate
CID 63839858
4-amino-N-[2-(hydroxymethyl)cyclopentyl]quinoline-2-carboxamide
CID 103856999
2-cyclobutylethyl 3-aminopyridine-2-carboxylate
CID 106202957
1-(4-aminoquinolin-2-yl)but-3-yn-1-one
CID 116603510

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 4-aminoquinoline-2-carboxylate?
The IUPAC name of 2-cyclobutylethyl 4-aminoquinoline-2-carboxylate (CID 106202811) is 2-cyclobutylethyl 4-aminoquinoline-2-carboxylate.
What is the SMILES notation for 2-cyclobutylethyl 4-aminoquinoline-2-carboxylate?
The canonical SMILES for 2-cyclobutylethyl 4-aminoquinoline-2-carboxylate is Nc1cc(C(=O)OCCC2CCC2)nc2ccccc12.
What is the InChIKey of 2-cyclobutylethyl 4-aminoquinoline-2-carboxylate?
The InChIKey is QXPZXWSMSWDIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-13-10-15(18-14-7-2-1-6-12(13)14)16(19)20-9-8-11-4-3-5-11/h1-2,6-7,10-11H,3-5,8-9H2,(H2,17,18).
What are the key properties of 2-cyclobutylethyl 4-aminoquinoline-2-carboxylate?
2-cyclobutylethyl 4-aminoquinoline-2-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 4-aminoquinoline-2-carboxylate is sourced from PubChem (CID 106202811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).