[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate

C27H24N2O4 — CID 23767440

IUPAC[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12)NCC1CCCO1
InChIInChI=1S/C27H24N2O4/c30-26(28-16-19-9-6-14-32-19)17-33-27(31)23-15-25(29-24-13-4-3-11-22(23)24)21-12-5-8-18-7-1-2-10-20(18)21/h1-5,7-8,10-13,15,19H,6,9,14,16-17H2,(H,28,30)
InChIKeyNHBNWYWTFZMVTA-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.51
Rot. Bonds6

About [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate (PubChem CID 23767440) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
PubChem CID23767440
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12)NCC1CCCO1
InChIInChI=1S/C27H24N2O4/c30-26(28-16-19-9-6-14-32-19)17-33-27(31)23-15-25(29-24-13-4-3-11-22(23)24)21-12-5-8-18-7-1-2-10-20(18)21/h1-5,7-8,10-13,15,19H,6,9,14,16-17H2,(H,28,30)
InChIKeyNHBNWYWTFZMVTA-UHFFFAOYSA-N
XLogP4.51
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate
CID 2389461
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23856693
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate
CID 3538824
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate
CID 2129314
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] naphthalene-1-carboxylate
CID 2436180
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 2335666
2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1294028
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2599897
[2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 2569270
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 3980497
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7553374

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate (CID 23767440) is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate is O=C(COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12)NCC1CCCO1.
What is the InChIKey of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate?
The InChIKey is NHBNWYWTFZMVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c30-26(28-16-19-9-6-14-32-19)17-33-27(31)23-15-25(29-24-13-4-3-11-22(23)24)21-12-5-8-18-7-1-2-10-20(18)21/h1-5,7-8,10-13,15,19H,6,9,14,16-17H2,(H,28,30).
What are the key properties of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate?
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate is sourced from PubChem (CID 23767440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).