[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate

C29H21NO4 — CID 23937440

IUPAC[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
SMILESCOc1ccc2cc(C(=O)COC(=O)c3cc(-c4ccccc4)nc4ccccc34)ccc2c1
InChIInChI=1S/C29H21NO4/c1-33-23-14-13-20-15-22(12-11-21(20)16-23)28(31)18-34-29(32)25-17-27(19-7-3-2-4-8-19)30-26-10-6-5-9-24(25)26/h2-17H,18H2,1H3
InChIKeyHMMJHYJRQQZPMI-UHFFFAOYSA-N
MW447.49 g/mol
LogP6.10
Rot. Bonds6

About [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate

[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate (PubChem CID 23937440) has the molecular formula C29H21NO4 and a molecular weight of 447.49 g/mol. Its IUPAC name is [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
PubChem CID23937440
Molecular FormulaC29H21NO4
Molecular Weight447.49 g/mol
Exact Mass447.15
IUPAC Name[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
SMILESCOc1ccc2cc(C(=O)COC(=O)c3cc(-c4ccccc4)nc4ccccc34)ccc2c1
InChIInChI=1S/C29H21NO4/c1-33-23-14-13-20-15-22(12-11-21(20)16-23)28(31)18-34-29(32)25-17-27(19-7-3-2-4-8-19)30-26-10-6-5-9-24(25)26/h2-17H,18H2,1H3
InChIKeyHMMJHYJRQQZPMI-UHFFFAOYSA-N
XLogP6.10
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate
CID 23733264
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 4516242
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 55366832
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 3591091
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 3808658
(2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 16568659
[2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 1418885
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 16530903
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 7866840
[2-(4-acetyloxyphenyl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 126190703
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4220379

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate?
The IUPAC name of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate (CID 23937440) is [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate?
The canonical SMILES for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate is COc1ccc2cc(C(=O)COC(=O)c3cc(-c4ccccc4)nc4ccccc34)ccc2c1.
What is the InChIKey of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate?
The InChIKey is HMMJHYJRQQZPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NO4/c1-33-23-14-13-20-15-22(12-11-21(20)16-23)28(31)18-34-29(32)25-17-27(19-7-3-2-4-8-19)30-26-10-6-5-9-24(25)26/h2-17H,18H2,1H3.
What are the key properties of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate?
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate has a molecular weight of 447.49 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 23937440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).