methyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate

C29H24N2O5 — CID 146515260

IUPACmethyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate
SMILESCOC(=O)c1cn2c(cc1=O)-c1c(cc(OCc3ccccc3)c3c1CCO3)CN2c1ccccc1
InChIInChI=1S/C29H24N2O5/c1-34-29(33)23-17-31-24(15-25(23)32)27-20(16-30(31)21-10-6-3-7-11-21)14-26(28-22(27)12-13-35-28)36-18-19-8-4-2-5-9-19/h2-11,14-15,17H,12-13,16,18H2,1H3
InChIKeyOTFHZADVQGFCRB-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.60
Rot. Bonds5

About methyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate

methyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate (PubChem CID 146515260) has the molecular formula C29H24N2O5 and a molecular weight of 480.52 g/mol. Its IUPAC name is methyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate
PubChem CID146515260
Molecular FormulaC29H24N2O5
Molecular Weight480.52 g/mol
Exact Mass480.17
IUPAC Namemethyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate
SMILESCOC(=O)c1cn2c(cc1=O)-c1c(cc(OCc3ccccc3)c3c1CCO3)CN2c1ccccc1
InChIInChI=1S/C29H24N2O5/c1-34-29(33)23-17-31-24(15-25(23)32)27-20(16-30(31)21-10-6-3-7-11-21)14-26(28-22(27)12-13-35-28)36-18-19-8-4-2-5-9-19/h2-11,14-15,17H,12-13,16,18H2,1H3
InChIKeyOTFHZADVQGFCRB-UHFFFAOYSA-N
XLogP4.60
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate with MolForge

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Related Compounds

ethyl 4-oxo-12-phenylmethoxy-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate
CID 146515253
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate
CID 147669047
methyl 11-phenylmethoxy-5,6-dihydropyrrolo[1,2-d][1,4]benzoxazepine-2-carboxylate
CID 177195833
methyl 2-[(E)-3-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzoate
CID 14397657
methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 151712376
methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501120
(7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid
CID 146515219
methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501104
methyl 2-bromo-4-methyl-5-phenylmethoxybenzoate
CID 170744490
methyl 5-oxaldehydoyl-2-phenylmethoxybenzoate;hydrate
CID 131711552
ethyl 10-methoxy-6,6-dimethyl-2-oxo-9-phenylmethoxy-7H-benzo[a]quinolizine-3-carboxylate
CID 135313905

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate?
The IUPAC name of methyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate (CID 146515260) is methyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate.
What is the SMILES notation for methyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate?
The canonical SMILES for methyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate is COC(=O)c1cn2c(cc1=O)-c1c(cc(OCc3ccccc3)c3c1CCO3)CN2c1ccccc1.
What is the InChIKey of methyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate?
The InChIKey is OTFHZADVQGFCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O5/c1-34-29(33)23-17-31-24(15-25(23)32)27-20(16-30(31)21-10-6-3-7-11-21)14-26(28-22(27)12-13-35-28)36-18-19-8-4-2-5-9-19/h2-11,14-15,17H,12-13,16,18H2,1H3.
What are the key properties of methyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate?
methyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate has a molecular weight of 480.52 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate is sourced from PubChem (CID 146515260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).