9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene

C19H15N3O — CID 151333617

IUPAC9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
SMILESc1coc(CN2Cc3ccccc3-c3nc4ccccn4c32)c1
InChIInChI=1S/C19H15N3O/c1-2-8-16-14(6-1)12-21(13-15-7-5-11-23-15)19-18(16)20-17-9-3-4-10-22(17)19/h1-11H,12-13H2
InChIKeyOIYXPFDJUXPZDS-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.11
Rot. Bonds2

About 9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene

9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene (PubChem CID 151333617) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene.

Molecular Properties

Compound Name9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
PubChem CID151333617
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
SMILESc1coc(CN2Cc3ccccc3-c3nc4ccccn4c32)c1
InChIInChI=1S/C19H15N3O/c1-2-8-16-14(6-1)12-21(13-15-7-5-11-23-15)19-18(16)20-17-9-3-4-10-22(17)19/h1-11H,12-13H2
InChIKeyOIYXPFDJUXPZDS-UHFFFAOYSA-N
XLogP4.11
TPSA33.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene with MolForge

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Related Compounds

9-[(2,4-dimethoxyphenyl)methyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
CID 141305678
1-(furan-2-ylmethyl)-2,3-dihydroindole
CID 14884168
2,4,10-triazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),5,7,9,12,16,18,20-nonaene
CID 86059353
2-(furan-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 6621186
2-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine
CID 132518641
2-benzyl-1-(furan-2-ylmethyl)-4,5-dihydroimidazole
CID 15046883
spiro[8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-9,9'-thioxanthene]
CID 59126016
2,4,6,8-tetrakis(furan-2-ylmethyl)-2,4,6,8-tetrazatricyclo[3.3.1.13,7]decane
CID 175739385
3-fluoro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine
CID 133055008
2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51216832
3-(furan-2-ylmethyl)-5-[(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3146792
7-chloro-4-(furan-2-ylmethyl)-5H-1,4-benzoxazepin-3-one
CID 53152570

Frequently Asked Questions

What is the IUPAC name of 9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
The IUPAC name of 9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene (CID 151333617) is 9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene.
What is the SMILES notation for 9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
The canonical SMILES for 9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene is c1coc(CN2Cc3ccccc3-c3nc4ccccn4c32)c1.
What is the InChIKey of 9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
The InChIKey is OIYXPFDJUXPZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-2-8-16-14(6-1)12-21(13-15-7-5-11-23-15)19-18(16)20-17-9-3-4-10-22(17)19/h1-11H,12-13H2.
What are the key properties of 9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene?
9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene has a molecular weight of 301.35 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(furan-2-ylmethyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene is sourced from PubChem (CID 151333617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).