10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid

C33H28N8O5 — CID 158956348

IUPAC10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid
SMILESO=C(Nc1cnc2ccccc2c1)c1ccc2cc3n(c2n1)CCCNC3=O.O=C(O)c1ccc2cc3n(c2n1)CCCNC3=O
InChIInChI=1S/C21H17N5O2.C12H11N3O3/c27-20(24-15-10-13-4-1-2-5-16(13)23-12-15)17-7-6-14-11-18-21(28)22-8-3-9-26(18)19(14)25-17;16-11-9-6-7-2-3-8(12(17)18)14-10(7)15(9)5-1-4-13-11/h1-2,4-7,10-12H,3,8-9H2,(H,22,28)(H,24,27);2-3,6H,1,4-5H2,(H,13,16)(H,17,18)
InChIKeyJMAYISSHUFFXPW-UHFFFAOYSA-N
MW616.64 g/mol
LogP3.84
Rot. Bonds3

About 10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid

10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid (PubChem CID 158956348) has the molecular formula C33H28N8O5 and a molecular weight of 616.64 g/mol. Its IUPAC name is 10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid.

Molecular Properties

Compound Name10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid
PubChem CID158956348
Molecular FormulaC33H28N8O5
Molecular Weight616.64 g/mol
Exact Mass616.22
IUPAC Name10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid
SMILESO=C(Nc1cnc2ccccc2c1)c1ccc2cc3n(c2n1)CCCNC3=O.O=C(O)c1ccc2cc3n(c2n1)CCCNC3=O
InChIInChI=1S/C21H17N5O2.C12H11N3O3/c27-20(24-15-10-13-4-1-2-5-16(13)23-12-15)17-7-6-14-11-18-21(28)22-8-3-9-26(18)19(14)25-17;16-11-9-6-7-2-3-8(12(17)18)14-10(7)15(9)5-1-4-13-11/h1-2,4-7,10-12H,3,8-9H2,(H,22,28)(H,24,27);2-3,6H,1,4-5H2,(H,13,16)(H,17,18)
InChIKeyJMAYISSHUFFXPW-UHFFFAOYSA-N
XLogP3.84
TPSA173.13 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.64
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid?
The IUPAC name of 10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid (CID 158956348) is 10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid.
What is the SMILES notation for 10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid?
The canonical SMILES for 10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid is O=C(Nc1cnc2ccccc2c1)c1ccc2cc3n(c2n1)CCCNC3=O.O=C(O)c1ccc2cc3n(c2n1)CCCNC3=O.
What is the InChIKey of 10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid?
The InChIKey is JMAYISSHUFFXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2.C12H11N3O3/c27-20(24-15-10-13-4-1-2-5-16(13)23-12-15)17-7-6-14-11-18-21(28)22-8-3-9-26(18)19(14)25-17;16-11-9-6-7-2-3-8(12(17)18)14-10(7)15(9)5-1-4-13-11/h1-2,4-7,10-12H,3,8-9H2,(H,22,28)(H,24,27);2-3,6H,1,4-5H2,(H,13,16)(H,17,18).
What are the key properties of 10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid?
10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid has a molecular weight of 616.64 g/mol, XLogP of 3.84, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide;10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxylic acid is sourced from PubChem (CID 158956348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).