methyl 2-(19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-12-carbonylamino)-2-phenylacetate

C28H24N2O3 — CID 11797202

IUPACmethyl 2-(19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-12-carbonylamino)-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CCC2)c1ccccc1
InChIInChI=1S/C28H24N2O3/c1-33-28(32)25(19-11-3-2-4-12-19)30-27(31)24-21-15-7-8-17-23(21)29-26-20-14-6-5-10-18(20)13-9-16-22(24)26/h2-8,10-12,14-15,17,25H,9,13,16H2,1H3,(H,30,31)
InChIKeyWLBJZIMRAJXAKP-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.03
Rot. Bonds4

About methyl 2-(19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-12-carbonylamino)-2-phenylacetate

methyl 2-(19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-12-carbonylamino)-2-phenylacetate (PubChem CID 11797202) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is methyl 2-(19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-12-carbonylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-12-carbonylamino)-2-phenylacetate
PubChem CID11797202
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Namemethyl 2-(19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-12-carbonylamino)-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CCC2)c1ccccc1
InChIInChI=1S/C28H24N2O3/c1-33-28(32)25(19-11-3-2-4-12-19)30-27(31)24-21-15-7-8-17-23(21)29-26-20-14-6-5-10-18(20)13-9-16-22(24)26/h2-8,10-12,14-15,17,25H,9,13,16H2,1H3,(H,30,31)
InChIKeyWLBJZIMRAJXAKP-UHFFFAOYSA-N
XLogP5.03
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-12-carbonylamino)-2-phenylacetate with MolForge

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Related Compounds

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N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
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2-ethyl-3-methyl-N-(phenylmethyl)quinoline-4-carboxamide
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N-benzyl-2-phenylquinoline-4-carboxamide
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9-Acridinecarboxamide, 1,2,3,4-tetrahydro-N-(1-methylethyl)-
CID 824113
[2-(Ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2089511
[2-Oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 2427239
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Frequently Asked Questions

What is the IUPAC name of methyl 2-(19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-12-carbonylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-12-carbonylamino)-2-phenylacetate (CID 11797202) is methyl 2-(19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-12-carbonylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-12-carbonylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-12-carbonylamino)-2-phenylacetate is COC(=O)C(NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CCC2)c1ccccc1.
What is the InChIKey of methyl 2-(19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-12-carbonylamino)-2-phenylacetate?
The InChIKey is WLBJZIMRAJXAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-33-28(32)25(19-11-3-2-4-12-19)30-27(31)24-21-15-7-8-17-23(21)29-26-20-14-6-5-10-18(20)13-9-16-22(24)26/h2-8,10-12,14-15,17,25H,9,13,16H2,1H3,(H,30,31).
What are the key properties of methyl 2-(19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-12-carbonylamino)-2-phenylacetate?
methyl 2-(19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-12-carbonylamino)-2-phenylacetate has a molecular weight of 436.51 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaene-12-carbonylamino)-2-phenylacetate is sourced from PubChem (CID 11797202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).