methyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate

C17H10N2O3 — CID 102432124

IUPACmethyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate
SMILESCOC(=O)c1cc2c3c(nc4ccccc4c3n1)C(=O)C=C2
InChIInChI=1S/C17H10N2O3/c1-22-17(21)12-8-9-6-7-13(20)16-14(9)15(19-12)10-4-2-3-5-11(10)18-16/h2-8H,1H3
InChIKeyXCXUOPBJJPREON-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.78
Rot. Bonds1

About methyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate

methyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate (PubChem CID 102432124) has the molecular formula C17H10N2O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is methyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate.

Molecular Properties

Compound Namemethyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate
PubChem CID102432124
Molecular FormulaC17H10N2O3
Molecular Weight290.28 g/mol
Exact Mass290.07
IUPAC Namemethyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate
SMILESCOC(=O)c1cc2c3c(nc4ccccc4c3n1)C(=O)C=C2
InChIInChI=1S/C17H10N2O3/c1-22-17(21)12-8-9-6-7-13(20)16-14(9)15(19-12)10-4-2-3-5-11(10)18-16/h2-8H,1H3
InChIKeyXCXUOPBJJPREON-UHFFFAOYSA-N
XLogP2.78
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze methyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate with MolForge

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Related Compounds

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methyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate
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methyl 4-pentylquinoline-2-carboxylate
CID 174963802
methyl 4-(2-methoxyanilino)quinoline-2-carboxylate
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methyl 4-(4-bromoanilino)quinoline-2-carboxylate
CID 45499074
methyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate
CID 171934177
methyl 4-(2H-triazolo[4,5-c]quinolin-4-yl)benzoate
CID 152544816
methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate
CID 53113340
methyl 6-methyl-4H-pyrido[3,2-a]carbazole-2-carboxylate
CID 136695301

Frequently Asked Questions

What is the IUPAC name of methyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate?
The IUPAC name of methyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate (CID 102432124) is methyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate.
What is the SMILES notation for methyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate?
The canonical SMILES for methyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate is COC(=O)c1cc2c3c(nc4ccccc4c3n1)C(=O)C=C2.
What is the InChIKey of methyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate?
The InChIKey is XCXUOPBJJPREON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O3/c1-22-17(21)12-8-9-6-7-13(20)16-14(9)15(19-12)10-4-2-3-5-11(10)18-16/h2-8H,1H3.
What are the key properties of methyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate?
methyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate has a molecular weight of 290.28 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate is sourced from PubChem (CID 102432124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).