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

C21H17N5O2 — CID 53242199

IUPAC10-oxo-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)c1ccc2cc3n(c2n1)CCCNC3=O
InChIInChI=1S/C21H17N5O2/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/h1-2,4-7,10-12H,3,8-9H2,(H,22,28)(H,24,27)
InChIKeyCTPVTASKZQBESS-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.97
Rot. Bonds2

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-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide (PubChem CID 53242199) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 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.

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
PubChem CID53242199
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
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
SMILESO=C(Nc1cnc2ccccc2c1)c1ccc2cc3n(c2n1)CCCNC3=O
InChIInChI=1S/C21H17N5O2/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/h1-2,4-7,10-12H,3,8-9H2,(H,22,28)(H,24,27)
InChIKeyCTPVTASKZQBESS-UHFFFAOYSA-N
XLogP2.97
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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?
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 (CID 53242199) 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.
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?
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 is O=C(Nc1cnc2ccccc2c1)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?
The InChIKey is CTPVTASKZQBESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/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/h1-2,4-7,10-12H,3,8-9H2,(H,22,28)(H,24,27).
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-N-quinolin-3-yl-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 53242199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).