benzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate

C31H24N2O3 — CID 69266416

IUPACbenzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate
SMILESCc1ccc(-c2ccccc2C(=O)Nc2ccc3cc(C(=O)OCc4ccccc4)ccc3n2)cc1
InChIInChI=1S/C31H24N2O3/c1-21-11-13-23(14-12-21)26-9-5-6-10-27(26)30(34)33-29-18-16-24-19-25(15-17-28(24)32-29)31(35)36-20-22-7-3-2-4-8-22/h2-19H,20H2,1H3,(H,32,33,34)
InChIKeyGFTYJWHEHJGQHA-UHFFFAOYSA-N
MW472.54 g/mol
LogP6.82
Rot. Bonds6

About benzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate

benzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate (PubChem CID 69266416) has the molecular formula C31H24N2O3 and a molecular weight of 472.54 g/mol. Its IUPAC name is benzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate
PubChem CID69266416
Molecular FormulaC31H24N2O3
Molecular Weight472.54 g/mol
Exact Mass472.18
IUPAC Namebenzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate
SMILESCc1ccc(-c2ccccc2C(=O)Nc2ccc3cc(C(=O)OCc4ccccc4)ccc3n2)cc1
InChIInChI=1S/C31H24N2O3/c1-21-11-13-23(14-12-21)26-9-5-6-10-27(26)30(34)33-29-18-16-24-19-25(15-17-28(24)32-29)31(35)36-20-22-7-3-2-4-8-22/h2-19H,20H2,1H3,(H,32,33,34)
InChIKeyGFTYJWHEHJGQHA-UHFFFAOYSA-N
XLogP6.82
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate
CID 69277610
benzyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylbenzoyl)amino]quinoline-6-carboxylate
CID 59820173
benzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate
CID 141120313
methyl 2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxylate
CID 59711001
benzyl 2-[(6-tert-butyl-3-methoxy-2-phenylbenzoyl)amino]quinoline-6-carboxylate
CID 141120325
N-[(1R)-1-(4-methylphenyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 59711004
ethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate
CID 70162303
benzyl 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate
CID 22626543
[2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate
CID 55730349
N-[(1S)-2-(dibutylamino)-1-phenylethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 157208298
methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
CID 78759931
N-quinolin-2-yl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 69267048

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate?
The IUPAC name of benzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate (CID 69266416) is benzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate.
What is the SMILES notation for benzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate?
The canonical SMILES for benzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate is Cc1ccc(-c2ccccc2C(=O)Nc2ccc3cc(C(=O)OCc4ccccc4)ccc3n2)cc1.
What is the InChIKey of benzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate?
The InChIKey is GFTYJWHEHJGQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O3/c1-21-11-13-23(14-12-21)26-9-5-6-10-27(26)30(34)33-29-18-16-24-19-25(15-17-28(24)32-29)31(35)36-20-22-7-3-2-4-8-22/h2-19H,20H2,1H3,(H,32,33,34).
What are the key properties of benzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate?
benzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate has a molecular weight of 472.54 g/mol, XLogP of 6.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate is sourced from PubChem (CID 69266416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).