[2-(cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate

C16H16N2O3 — CID 3652497

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC2CC2)c2ccccc2n1
InChIInChI=1S/C16H16N2O3/c1-10-8-13(12-4-2-3-5-14(12)17-10)16(20)21-9-15(19)18-11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H,18,19)
InChIKeyWGWMHEIZMJKPEJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.98
Rot. Bonds4

About [2-(cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate (PubChem CID 3652497) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
PubChem CID3652497
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC2CC2)c2ccccc2n1
InChIInChI=1S/C16H16N2O3/c1-10-8-13(12-4-2-3-5-14(12)17-10)16(20)21-9-15(19)18-11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H,18,19)
InChIKeyWGWMHEIZMJKPEJ-UHFFFAOYSA-N
XLogP1.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

SB 218795
CID 6604858
(1-Butylpiperidin-4-yl)methyl 2-cyclopropylquinoline-4-carboxylate
CID 145988201
[2-(4-Ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2084031
[2-(Ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2089511
[2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2417563
[2-Oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 2427239
(2-Oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate
CID 2454583
[2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3442697
[2-(methylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3498238
(2-amino-2-oxoethyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 3937699
[2-(2-methylpropylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 4025382
[2-(tert-butylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 4089053

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate (CID 3652497) is [2-(cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCC(=O)NC2CC2)c2ccccc2n1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is WGWMHEIZMJKPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-8-13(12-4-2-3-5-14(12)17-10)16(20)21-9-15(19)18-11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H,18,19).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 3652497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).