[2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate

C25H22N2O3 — CID 2569270

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
SMILESCC(C)NC(=O)COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C25H22N2O3/c1-16(2)26-24(28)15-30-25(29)21-14-23(27-22-13-6-5-11-20(21)22)19-12-7-9-17-8-3-4-10-18(17)19/h3-14,16H,15H2,1-2H3,(H,26,28)
InChIKeyUGHJUNUZKGCWEU-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.74
Rot. Bonds5

About [2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate

[2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate (PubChem CID 2569270) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
PubChem CID2569270
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
SMILESCC(C)NC(=O)COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C25H22N2O3/c1-16(2)26-24(28)15-30-25(29)21-14-23(27-22-13-6-5-11-20(21)22)19-12-7-9-17-8-3-4-10-18(17)19/h3-14,16H,15H2,1-2H3,(H,26,28)
InChIKeyUGHJUNUZKGCWEU-UHFFFAOYSA-N
XLogP4.74
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 2335666
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23993753
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 16544043
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 8663404
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23767440
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8577464
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 3873039
1-(2-naphthalen-1-ylquinolin-4-yl)ethanone
CID 140742402
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23735681
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23938963
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23734625
[2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 18074137

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate (CID 2569270) is [2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate is CC(C)NC(=O)COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate?
The InChIKey is UGHJUNUZKGCWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-16(2)26-24(28)15-30-25(29)21-14-23(27-22-13-6-5-11-20(21)22)19-12-7-9-17-8-3-4-10-18(17)19/h3-14,16H,15H2,1-2H3,(H,26,28).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate?
[2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate has a molecular weight of 398.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate is sourced from PubChem (CID 2569270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).