4-azatricyclo[9.4.0.03,8]pentadeca-1(15),2,5,7,9,11,13-heptaene-4-carboxamide

C15H12N2O — CID 159198332

IUPAC4-azatricyclo[9.4.0.03,8]pentadeca-1(15),2,5,7,9,11,13-heptaene-4-carboxamide
SMILESNC(=O)N1C=CC=C2C=Cc3ccccc3C=C21
InChIInChI=1S/C15H12N2O/c16-15(18)17-9-3-6-12-8-7-11-4-1-2-5-13(11)10-14(12)17/h1-10H,(H2,16,18)
InChIKeyZZUQKVVWSAEDDH-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.89
Rot. Bonds

About 4-azatricyclo[9.4.0.03,8]pentadeca-1(15),2,5,7,9,11,13-heptaene-4-carboxamide

4-azatricyclo[9.4.0.03,8]pentadeca-1(15),2,5,7,9,11,13-heptaene-4-carboxamide (PubChem CID 159198332) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-azatricyclo[9.4.0.03,8]pentadeca-1(15),2,5,7,9,11,13-heptaene-4-carboxamide.

Molecular Properties

Compound Name4-azatricyclo[9.4.0.03,8]pentadeca-1(15),2,5,7,9,11,13-heptaene-4-carboxamide
PubChem CID159198332
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name4-azatricyclo[9.4.0.03,8]pentadeca-1(15),2,5,7,9,11,13-heptaene-4-carboxamide
SMILESNC(=O)N1C=CC=C2C=Cc3ccccc3C=C21
InChIInChI=1S/C15H12N2O/c16-15(18)17-9-3-6-12-8-7-11-4-1-2-5-13(11)10-14(12)17/h1-10H,(H2,16,18)
InChIKeyZZUQKVVWSAEDDH-UHFFFAOYSA-N
XLogP2.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-azatricyclo[9.4.0.03,8]pentadeca-1(15),2,5,7,9,11,13-heptaene-4-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[9.4.0.03,8]pentadeca-1(15),2,5,7,9,11,13-heptaene-4-carboxamide?
The IUPAC name of 4-azatricyclo[9.4.0.03,8]pentadeca-1(15),2,5,7,9,11,13-heptaene-4-carboxamide (CID 159198332) is 4-azatricyclo[9.4.0.03,8]pentadeca-1(15),2,5,7,9,11,13-heptaene-4-carboxamide.
What is the SMILES notation for 4-azatricyclo[9.4.0.03,8]pentadeca-1(15),2,5,7,9,11,13-heptaene-4-carboxamide?
The canonical SMILES for 4-azatricyclo[9.4.0.03,8]pentadeca-1(15),2,5,7,9,11,13-heptaene-4-carboxamide is NC(=O)N1C=CC=C2C=Cc3ccccc3C=C21.
What is the InChIKey of 4-azatricyclo[9.4.0.03,8]pentadeca-1(15),2,5,7,9,11,13-heptaene-4-carboxamide?
The InChIKey is ZZUQKVVWSAEDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-15(18)17-9-3-6-12-8-7-11-4-1-2-5-13(11)10-14(12)17/h1-10H,(H2,16,18).
What are the key properties of 4-azatricyclo[9.4.0.03,8]pentadeca-1(15),2,5,7,9,11,13-heptaene-4-carboxamide?
4-azatricyclo[9.4.0.03,8]pentadeca-1(15),2,5,7,9,11,13-heptaene-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[9.4.0.03,8]pentadeca-1(15),2,5,7,9,11,13-heptaene-4-carboxamide is sourced from PubChem (CID 159198332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).