[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate

C20H17FN2O3 — CID 2420018

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NCc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C20H17FN2O3/c1-13-10-17(16-4-2-3-5-18(16)23-13)20(25)26-12-19(24)22-11-14-6-8-15(21)9-7-14/h2-10H,11-12H2,1H3,(H,22,24)
InChIKeyHIDPXHQAZRWMCK-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.16
Rot. Bonds5

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate (PubChem CID 2420018) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
PubChem CID2420018
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NCc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C20H17FN2O3/c1-13-10-17(16-4-2-3-5-18(16)23-13)20(25)26-12-19(24)22-11-14-6-8-15(21)9-7-14/h2-10H,11-12H2,1H3,(H,22,24)
InChIKeyHIDPXHQAZRWMCK-UHFFFAOYSA-N
XLogP3.16
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Neocinchophen
CID 68089
SB 218795
CID 6604858
N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2873539
Methyl 2-phenyl-4-quinolinecarboxylate
CID 609693
(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-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate
CID 2347318
[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

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate (CID 2420018) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCC(=O)NCc2ccc(F)cc2)c2ccccc2n1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is HIDPXHQAZRWMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-13-10-17(16-4-2-3-5-18(16)23-13)20(25)26-12-19(24)22-11-14-6-8-15(21)9-7-14/h2-10H,11-12H2,1H3,(H,22,24).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 352.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 2420018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).