[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate

C23H22N2O4 — CID 2389461

IUPAC[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)NC[C@H]1CCCO1
InChIInChI=1S/C23H22N2O4/c26-22(24-14-17-9-6-12-28-17)15-29-23(27)19-13-21(16-7-2-1-3-8-16)25-20-11-5-4-10-18(19)20/h1-5,7-8,10-11,13,17H,6,9,12,14-15H2,(H,24,26)/t17-/m1/s1
InChIKeyPQLTVWAQWONOIH-QGZVFWFLSA-N
MW390.44 g/mol
LogP3.35
Rot. Bonds6

About [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate

[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate (PubChem CID 2389461) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate
PubChem CID2389461
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)NC[C@H]1CCCO1
InChIInChI=1S/C23H22N2O4/c26-22(24-14-17-9-6-12-28-17)15-29-23(27)19-13-21(16-7-2-1-3-8-16)25-20-11-5-4-10-18(19)20/h1-5,7-8,10-11,13,17H,6,9,12,14-15H2,(H,24,26)/t17-/m1/s1
InChIKeyPQLTVWAQWONOIH-QGZVFWFLSA-N
XLogP3.35
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23856693
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate
CID 2129314
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate
CID 3538824
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23767440
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 8980655
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] naphthalene-1-carboxylate
CID 2436180
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2599897
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7553374
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2080081
[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 5094441
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-benzoylbenzoate
CID 2621831

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate (CID 2389461) is [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate is O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)NC[C@H]1CCCO1.
What is the InChIKey of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate?
The InChIKey is PQLTVWAQWONOIH-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-22(24-14-17-9-6-12-28-17)15-29-23(27)19-13-21(16-7-2-1-3-8-16)25-20-11-5-4-10-18(19)20/h1-5,7-8,10-11,13,17H,6,9,12,14-15H2,(H,24,26)/t17-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate?
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 2389461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).