[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

C30H23BrN2O3 — CID 2383760

IUPAC[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate
SMILESCCN(C(=O)COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C30H23BrN2O3/c1-2-33(28-13-7-9-20-8-3-4-10-23(20)28)29(34)19-36-30(35)25-18-27(21-14-16-22(31)17-15-21)32-26-12-6-5-11-24(25)26/h3-18H,2,19H2,1H3
InChIKeyFKEDABANSTWTCW-UHFFFAOYSA-N
MW539.43 g/mol
LogP7.03
Rot. Bonds6

About [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate (PubChem CID 2383760) has the molecular formula C30H23BrN2O3 and a molecular weight of 539.43 g/mol. Its IUPAC name is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate
PubChem CID2383760
Molecular FormulaC30H23BrN2O3
Molecular Weight539.43 g/mol
Exact Mass538.09
IUPAC Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate
SMILESCCN(C(=O)COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C30H23BrN2O3/c1-2-33(28-13-7-9-20-8-3-4-10-23(20)28)29(34)19-36-30(35)25-18-27(21-14-16-22(31)17-15-21)32-26-12-6-5-11-24(25)26/h3-18H,2,19H2,1H3
InChIKeyFKEDABANSTWTCW-UHFFFAOYSA-N
XLogP7.03
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.43
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalen-1-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 3939151
pentyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 3819494
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
2-phenoxyethyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 4562617
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 4832074
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate
CID 2512971
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184
[2-(4-bromophenyl)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23882892
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2405012
(2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
CID 2382181
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 27315830
(4-bromophenyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 2404179

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate?
The IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate (CID 2383760) is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate is CCN(C(=O)COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate?
The InChIKey is FKEDABANSTWTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23BrN2O3/c1-2-33(28-13-7-9-20-8-3-4-10-23(20)28)29(34)19-36-30(35)25-18-27(21-14-16-22(31)17-15-21)32-26-12-6-5-11-24(25)26/h3-18H,2,19H2,1H3.
What are the key properties of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate?
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate has a molecular weight of 539.43 g/mol, XLogP of 7.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2383760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).