13-ethyl-12-[(Z)-prop-1-enyl]-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaen-15-one

C19H16N2O — CID 134300418

IUPAC13-ethyl-12-[(Z)-prop-1-enyl]-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaen-15-one
SMILESC/C=C\c1nc2c3cccc4cccc(c(=O)n2c1CC)c43
InChIInChI=1S/C19H16N2O/c1-3-7-15-16(4-2)21-18(20-15)13-10-5-8-12-9-6-11-14(17(12)13)19(21)22/h3,5-11H,4H2,1-2H3/b7-3-
InChIKeyDTCZLZYZXOYCCQ-CLTKARDFSA-N
MW288.35 g/mol
LogP4.03
Rot. Bonds2

About 13-ethyl-12-[(Z)-prop-1-enyl]-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaen-15-one

13-ethyl-12-[(Z)-prop-1-enyl]-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaen-15-one (PubChem CID 134300418) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 13-ethyl-12-[(Z)-prop-1-enyl]-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaen-15-one.

Molecular Properties

Compound Name13-ethyl-12-[(Z)-prop-1-enyl]-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaen-15-one
PubChem CID134300418
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name13-ethyl-12-[(Z)-prop-1-enyl]-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaen-15-one
SMILESC/C=C\c1nc2c3cccc4cccc(c(=O)n2c1CC)c43
InChIInChI=1S/C19H16N2O/c1-3-7-15-16(4-2)21-18(20-15)13-10-5-8-12-9-6-11-14(17(12)13)19(21)22/h3,5-11H,4H2,1-2H3/b7-3-
InChIKeyDTCZLZYZXOYCCQ-CLTKARDFSA-N
XLogP4.03
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13-ethyl-12-[(Z)-prop-1-enyl]-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaen-15-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-ethyl-12-[(Z)-prop-1-enyl]-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaen-15-one?
The IUPAC name of 13-ethyl-12-[(Z)-prop-1-enyl]-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaen-15-one (CID 134300418) is 13-ethyl-12-[(Z)-prop-1-enyl]-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaen-15-one.
What is the SMILES notation for 13-ethyl-12-[(Z)-prop-1-enyl]-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaen-15-one?
The canonical SMILES for 13-ethyl-12-[(Z)-prop-1-enyl]-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaen-15-one is C/C=C\c1nc2c3cccc4cccc(c(=O)n2c1CC)c43.
What is the InChIKey of 13-ethyl-12-[(Z)-prop-1-enyl]-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaen-15-one?
The InChIKey is DTCZLZYZXOYCCQ-CLTKARDFSA-N. The full InChI is InChI=1S/C19H16N2O/c1-3-7-15-16(4-2)21-18(20-15)13-10-5-8-12-9-6-11-14(17(12)13)19(21)22/h3,5-11H,4H2,1-2H3/b7-3-.
What are the key properties of 13-ethyl-12-[(Z)-prop-1-enyl]-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaen-15-one?
13-ethyl-12-[(Z)-prop-1-enyl]-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaen-15-one has a molecular weight of 288.35 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-12-[(Z)-prop-1-enyl]-11,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaen-15-one is sourced from PubChem (CID 134300418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).