7-ethylidene-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-2,10-dione

C19H20N2O2 — CID 72737953

IUPAC7-ethylidene-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-2,10-dione
SMILESCC=C1CN(C)CC2C(=O)c3c([nH]c4ccccc34)C(=O)CC12
InChIInChI=1S/C19H20N2O2/c1-3-11-9-21(2)10-14-13(11)8-16(22)18-17(19(14)23)12-6-4-5-7-15(12)20-18/h3-7,13-14,20H,8-10H2,1-2H3
InChIKeyQRIDDVDKSXHDHM-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.06
Rot. Bonds

About 7-ethylidene-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-2,10-dione

7-ethylidene-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-2,10-dione (PubChem CID 72737953) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 7-ethylidene-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-2,10-dione.

Molecular Properties

Compound Name7-ethylidene-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-2,10-dione
PubChem CID72737953
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name7-ethylidene-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-2,10-dione
SMILESCC=C1CN(C)CC2C(=O)c3c([nH]c4ccccc34)C(=O)CC12
InChIInChI=1S/C19H20N2O2/c1-3-11-9-21(2)10-14-13(11)8-16(22)18-17(19(14)23)12-6-4-5-7-15(12)20-18/h3-7,13-14,20H,8-10H2,1-2H3
InChIKeyQRIDDVDKSXHDHM-UHFFFAOYSA-N
XLogP3.06
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-ethylidene-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-2,10-dione with MolForge

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Related Compounds

(1S,14R,15E,18R)-15-ethylidene-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-one
CID 163015309
(1S,14R,15E,18R)-15-ethylidene-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylic acid
CID 162966556
(1R,14E)-14-ethylidene-16-methyl-17-methylidene-9,16-diazatetracyclo[11.3.1.02,10.03,8]heptadeca-2(10),3,5,7-tetraen-11-one
CID 163039766
(14Z)-14-ethylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one
CID 71308180
methyl (1S,14S,18S)-15-ethylidene-18-(hydroxymethyl)-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
CID 162930362
methyl (1S,15E)-15-ethylidene-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
CID 5383814
methyl (1S,14R,15Z,18S)-15-ethylidene-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
CID 101277403
2-methyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 4165022
(1R,12S,13S,14S,15Z)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-1-ol
CID 163190977
[(1S,13S,14S,15Z)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
CID 175754476
(1S,12S,14S,15Z)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-one
CID 11471452
15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-one
CID 5242613

Frequently Asked Questions

What is the IUPAC name of 7-ethylidene-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-2,10-dione?
The IUPAC name of 7-ethylidene-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-2,10-dione (CID 72737953) is 7-ethylidene-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-2,10-dione.
What is the SMILES notation for 7-ethylidene-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-2,10-dione?
The canonical SMILES for 7-ethylidene-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-2,10-dione is CC=C1CN(C)CC2C(=O)c3c([nH]c4ccccc34)C(=O)CC12.
What is the InChIKey of 7-ethylidene-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-2,10-dione?
The InChIKey is QRIDDVDKSXHDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-11-9-21(2)10-14-13(11)8-16(22)18-17(19(14)23)12-6-4-5-7-15(12)20-18/h3-7,13-14,20H,8-10H2,1-2H3.
What are the key properties of 7-ethylidene-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-2,10-dione?
7-ethylidene-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-2,10-dione has a molecular weight of 308.38 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylidene-5-methyl-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-2,10-dione is sourced from PubChem (CID 72737953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).