14-(2-aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one

C16H13N3O — CID 46907250

IUPAC14-(2-aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
SMILESNCCn1nc2c3c(cccc31)C(=O)c1ccccc1-2
InChIInChI=1S/C16H13N3O/c17-8-9-19-13-7-3-6-12-14(13)15(18-19)10-4-1-2-5-11(10)16(12)20/h1-7H,8-9,17H2
InChIKeyBELLEOUYTCSNAZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.21
Rot. Bonds2

About 14-(2-aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one

14-(2-aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one (PubChem CID 46907250) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 14-(2-aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one.

Molecular Properties

Compound Name14-(2-aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
PubChem CID46907250
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name14-(2-aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
SMILESNCCn1nc2c3c(cccc31)C(=O)c1ccccc1-2
InChIInChI=1S/C16H13N3O/c17-8-9-19-13-7-3-6-12-14(13)15(18-19)10-4-1-2-5-11(10)16(12)20/h1-7H,8-9,17H2
InChIKeyBELLEOUYTCSNAZ-UHFFFAOYSA-N
XLogP2.21
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 14-(2-aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
The IUPAC name of 14-(2-aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one (CID 46907250) is 14-(2-aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one.
What is the SMILES notation for 14-(2-aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
The canonical SMILES for 14-(2-aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one is NCCn1nc2c3c(cccc31)C(=O)c1ccccc1-2.
What is the InChIKey of 14-(2-aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
The InChIKey is BELLEOUYTCSNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-8-9-19-13-7-3-6-12-14(13)15(18-19)10-4-1-2-5-11(10)16(12)20/h1-7H,8-9,17H2.
What are the key properties of 14-(2-aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one?
14-(2-aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one has a molecular weight of 263.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2-aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one is sourced from PubChem (CID 46907250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).