12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one

C15H10N2O — CID 154697925

IUPAC12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one
SMILESNc1ccc2cc3ccccc3c3c2c1C(=O)N3
InChIInChI=1S/C15H10N2O/c16-11-6-5-9-7-8-3-1-2-4-10(8)14-12(9)13(11)15(18)17-14/h1-7H,16H2,(H,17,18)
InChIKeyPMCUVTSRMSEYPY-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.14
Rot. Bonds

About 12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one

12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one (PubChem CID 154697925) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one.

Molecular Properties

Compound Name12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one
PubChem CID154697925
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one
SMILESNc1ccc2cc3ccccc3c3c2c1C(=O)N3
InChIInChI=1S/C15H10N2O/c16-11-6-5-9-7-8-3-1-2-4-10(8)14-12(9)13(11)15(18)17-14/h1-7H,16H2,(H,17,18)
InChIKeyPMCUVTSRMSEYPY-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one?
The IUPAC name of 12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one (CID 154697925) is 12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one.
What is the SMILES notation for 12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one?
The canonical SMILES for 12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one is Nc1ccc2cc3ccccc3c3c2c1C(=O)N3.
What is the InChIKey of 12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one?
The InChIKey is PMCUVTSRMSEYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c16-11-6-5-9-7-8-3-1-2-4-10(8)14-12(9)13(11)15(18)17-14/h1-7H,16H2,(H,17,18).
What are the key properties of 12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one?
12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one has a molecular weight of 234.26 g/mol, XLogP of 3.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one is sourced from PubChem (CID 154697925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).