benzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate

C34H30N2O4 — CID 141120313

IUPACbenzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate
SMILESCC(C)(C)Oc1cccc(-c2ccccc2)c1C(=O)Nc1ccc2cc(C(=O)OCc3ccccc3)ccc2n1
InChIInChI=1S/C34H30N2O4/c1-34(2,3)40-29-16-10-15-27(24-13-8-5-9-14-24)31(29)32(37)36-30-20-18-25-21-26(17-19-28(25)35-30)33(38)39-22-23-11-6-4-7-12-23/h4-21H,22H2,1-3H3,(H,35,36,37)
InChIKeyBNIGOCMGGGWEQH-UHFFFAOYSA-N
MW530.62 g/mol
LogP7.69
Rot. Bonds7

About benzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate

benzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate (PubChem CID 141120313) has the molecular formula C34H30N2O4 and a molecular weight of 530.62 g/mol. Its IUPAC name is benzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate
PubChem CID141120313
Molecular FormulaC34H30N2O4
Molecular Weight530.62 g/mol
Exact Mass530.22
IUPAC Namebenzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate
SMILESCC(C)(C)Oc1cccc(-c2ccccc2)c1C(=O)Nc1ccc2cc(C(=O)OCc3ccccc3)ccc2n1
InChIInChI=1S/C34H30N2O4/c1-34(2,3)40-29-16-10-15-27(24-13-8-5-9-14-24)31(29)32(37)36-30-20-18-25-21-26(17-19-28(25)35-30)33(38)39-22-23-11-6-4-7-12-23/h4-21H,22H2,1-3H3,(H,35,36,37)
InChIKeyBNIGOCMGGGWEQH-UHFFFAOYSA-N
XLogP7.69
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.62
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate with MolForge

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Related Compounds

benzyl 2-[(6-tert-butyl-3-methoxy-2-phenylbenzoyl)amino]quinoline-6-carboxylate
CID 141120325
benzyl 2-[[2-(4-methylphenyl)benzoyl]amino]quinoline-6-carboxylate
CID 69266416
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
methyl 2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxylate
CID 59711001
[2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate
CID 55730349
benzyl 3-tert-butylbenzoate
CID 59132221
benzyl 2-[[8-(4,4-dimethylpentan-2-yloxy)quinolin-2-yl]carbamoyl]benzoate
CID 91331992
benzyl 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate
CID 22626543
methyl (2S)-2-phenyl-2-[[2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carbonyl]amino]acetate
CID 59710991
benzyl 3-hydroxybenzoate
CID 11736317
benzyl 3-(2-chloropyrimidin-4-yl)benzoate
CID 44754977

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate?
The IUPAC name of benzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate (CID 141120313) is benzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate.
What is the SMILES notation for benzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate?
The canonical SMILES for benzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate is CC(C)(C)Oc1cccc(-c2ccccc2)c1C(=O)Nc1ccc2cc(C(=O)OCc3ccccc3)ccc2n1.
What is the InChIKey of benzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate?
The InChIKey is BNIGOCMGGGWEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2O4/c1-34(2,3)40-29-16-10-15-27(24-13-8-5-9-14-24)31(29)32(37)36-30-20-18-25-21-26(17-19-28(25)35-30)33(38)39-22-23-11-6-4-7-12-23/h4-21H,22H2,1-3H3,(H,35,36,37).
What are the key properties of benzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate?
benzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate has a molecular weight of 530.62 g/mol, XLogP of 7.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-[(2-methylpropan-2-yl)oxy]-6-phenylbenzoyl]amino]quinoline-6-carboxylate is sourced from PubChem (CID 141120313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).