ethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate

C27H24N2O3 — CID 70162303

IUPACethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(CC)cc3)ccc2c1
InChIInChI=1S/C27H24N2O3/c1-3-18-9-11-19(12-10-18)23-7-5-6-8-24(23)26(30)29-22-14-13-20-15-21(27(31)32-4-2)17-28-25(20)16-22/h5-17H,3-4H2,1-2H3,(H,29,30)
InChIKeyCOTREVDABICJIV-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.89
Rot. Bonds6

About ethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate

ethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate (PubChem CID 70162303) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is ethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate
PubChem CID70162303
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Nameethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(CC)cc3)ccc2c1
InChIInChI=1S/C27H24N2O3/c1-3-18-9-11-19(12-10-18)23-7-5-6-8-24(23)26(30)29-22-14-13-20-15-21(27(31)32-4-2)17-28-25(20)16-22/h5-17H,3-4H2,1-2H3,(H,29,30)
InChIKeyCOTREVDABICJIV-UHFFFAOYSA-N
XLogP5.89
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10277298
7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide
CID 10184681
N-cyclopropyl-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10140350
benzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate
CID 69277610
benzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate
CID 69266416
N-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10189630
ethanesulfonic acid;N-(1-pyridin-2-ylethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10283066
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502272
ethyl 4-[(4-methyl-2-phenylpyrimidine-5-carbonyl)amino]benzoate
CID 53080370
ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 100509677
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
N-(2,3-dimethylquinoxalin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide
CID 11596721

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate?
The IUPAC name of ethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate (CID 70162303) is ethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(CC)cc3)ccc2c1.
What is the InChIKey of ethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate?
The InChIKey is COTREVDABICJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-3-18-9-11-19(12-10-18)23-7-5-6-8-24(23)26(30)29-22-14-13-20-15-21(27(31)32-4-2)17-28-25(20)16-22/h5-17H,3-4H2,1-2H3,(H,29,30).
What are the key properties of ethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate?
ethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate has a molecular weight of 424.50 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate is sourced from PubChem (CID 70162303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).