2-cyclopropyl-2,4,10,19-tetrazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-9-one

C18H14N4O — CID 10804312

IUPAC2-cyclopropyl-2,4,10,19-tetrazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-9-one
SMILESO=C1Nc2c(ncc3ccccc23)N(C2CC2)c2ncccc21
InChIInChI=1S/C18H14N4O/c23-18-14-6-3-9-19-16(14)22(12-7-8-12)17-15(21-18)13-5-2-1-4-11(13)10-20-17/h1-6,9-10,12H,7-8H2,(H,21,23)
InChIKeyVEUPIFFLKFDHQG-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.50
Rot. Bonds1

About 2-cyclopropyl-2,4,10,19-tetrazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-9-one

2-cyclopropyl-2,4,10,19-tetrazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-9-one (PubChem CID 10804312) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-cyclopropyl-2,4,10,19-tetrazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-9-one.

Molecular Properties

Compound Name2-cyclopropyl-2,4,10,19-tetrazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-9-one
PubChem CID10804312
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-cyclopropyl-2,4,10,19-tetrazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-9-one
SMILESO=C1Nc2c(ncc3ccccc23)N(C2CC2)c2ncccc21
InChIInChI=1S/C18H14N4O/c23-18-14-6-3-9-19-16(14)22(12-7-8-12)17-15(21-18)13-5-2-1-4-11(13)10-20-17/h1-6,9-10,12H,7-8H2,(H,21,23)
InChIKeyVEUPIFFLKFDHQG-UHFFFAOYSA-N
XLogP3.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2,4,10,19-tetrazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-9-one with MolForge

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Related Compounds

2-cyclopropyl-7-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene-6-carbaldehyde
CID 10780123
2-cyclohexyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 67910035
2-cyclopropyl-7-(methylsulfinylmethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 10758668
2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;pentanedioic acid
CID 139196291
13-bromo-2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 10712517
ethyl (E)-3-(2-cyclopropyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-7-yl)prop-2-enoate
CID 6474549
2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;N'-hydroxy-N-phenyloctanediamide
CID 165413748
7-methyl-2-(1,2,2,3,3-pentadeuteriocyclopropyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 45040009
2-cyclopropyl-9-methyl-5-pyrrolidin-1-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 23206965
2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135508756
1-cyclopropyl-2-methyl-3-[(2Z,4E)-5-methylhepta-2,4-dien-2-yl]-4H-pyrido[2,3-e][1,4]diazepin-5-one
CID 142824465
2-cyclopropyl-12-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 118985221

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2,4,10,19-tetrazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-9-one?
The IUPAC name of 2-cyclopropyl-2,4,10,19-tetrazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-9-one (CID 10804312) is 2-cyclopropyl-2,4,10,19-tetrazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-9-one.
What is the SMILES notation for 2-cyclopropyl-2,4,10,19-tetrazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-9-one?
The canonical SMILES for 2-cyclopropyl-2,4,10,19-tetrazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-9-one is O=C1Nc2c(ncc3ccccc23)N(C2CC2)c2ncccc21.
What is the InChIKey of 2-cyclopropyl-2,4,10,19-tetrazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-9-one?
The InChIKey is VEUPIFFLKFDHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-18-14-6-3-9-19-16(14)22(12-7-8-12)17-15(21-18)13-5-2-1-4-11(13)10-20-17/h1-6,9-10,12H,7-8H2,(H,21,23).
What are the key properties of 2-cyclopropyl-2,4,10,19-tetrazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-9-one?
2-cyclopropyl-2,4,10,19-tetrazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-9-one has a molecular weight of 302.34 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2,4,10,19-tetrazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-9-one is sourced from PubChem (CID 10804312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).