9-cyclopropyl-3,10-dioxa-7,16,18,22-tetrazatricyclo[15.3.1.12,5]docosa-1(21),2(22),4,17,19-pentaen-6-one

C19H24N4O3 — CID 86298865

IUPAC9-cyclopropyl-3,10-dioxa-7,16,18,22-tetrazatricyclo[15.3.1.12,5]docosa-1(21),2(22),4,17,19-pentaen-6-one
SMILESO=C1NCC(C2CC2)OCCCCCNc2cc(ccn2)-c2nc1co2
InChIInChI=1S/C19H24N4O3/c24-18-15-12-26-19(23-15)14-6-8-21-17(10-14)20-7-2-1-3-9-25-16(11-22-18)13-4-5-13/h6,8,10,12-13,16H,1-5,7,9,11H2,(H,20,21)(H,22,24)
InChIKeyWYWMTBFLHSFLLA-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.86
Rot. Bonds1

About 9-cyclopropyl-3,10-dioxa-7,16,18,22-tetrazatricyclo[15.3.1.12,5]docosa-1(21),2(22),4,17,19-pentaen-6-one

9-cyclopropyl-3,10-dioxa-7,16,18,22-tetrazatricyclo[15.3.1.12,5]docosa-1(21),2(22),4,17,19-pentaen-6-one (PubChem CID 86298865) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 9-cyclopropyl-3,10-dioxa-7,16,18,22-tetrazatricyclo[15.3.1.12,5]docosa-1(21),2(22),4,17,19-pentaen-6-one.

Molecular Properties

Compound Name9-cyclopropyl-3,10-dioxa-7,16,18,22-tetrazatricyclo[15.3.1.12,5]docosa-1(21),2(22),4,17,19-pentaen-6-one
PubChem CID86298865
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name9-cyclopropyl-3,10-dioxa-7,16,18,22-tetrazatricyclo[15.3.1.12,5]docosa-1(21),2(22),4,17,19-pentaen-6-one
SMILESO=C1NCC(C2CC2)OCCCCCNc2cc(ccn2)-c2nc1co2
InChIInChI=1S/C19H24N4O3/c24-18-15-12-26-19(23-15)14-6-8-21-17(10-14)20-7-2-1-3-9-25-16(11-22-18)13-4-5-13/h6,8,10,12-13,16H,1-5,7,9,11H2,(H,20,21)(H,22,24)
InChIKeyWYWMTBFLHSFLLA-UHFFFAOYSA-N
XLogP2.86
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-cyclopropyl-3,10-dioxa-7,16,18,22-tetrazatricyclo[15.3.1.12,5]docosa-1(21),2(22),4,17,19-pentaen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-3,10-dioxa-7,16,18,22-tetrazatricyclo[15.3.1.12,5]docosa-1(21),2(22),4,17,19-pentaen-6-one?
The IUPAC name of 9-cyclopropyl-3,10-dioxa-7,16,18,22-tetrazatricyclo[15.3.1.12,5]docosa-1(21),2(22),4,17,19-pentaen-6-one (CID 86298865) is 9-cyclopropyl-3,10-dioxa-7,16,18,22-tetrazatricyclo[15.3.1.12,5]docosa-1(21),2(22),4,17,19-pentaen-6-one.
What is the SMILES notation for 9-cyclopropyl-3,10-dioxa-7,16,18,22-tetrazatricyclo[15.3.1.12,5]docosa-1(21),2(22),4,17,19-pentaen-6-one?
The canonical SMILES for 9-cyclopropyl-3,10-dioxa-7,16,18,22-tetrazatricyclo[15.3.1.12,5]docosa-1(21),2(22),4,17,19-pentaen-6-one is O=C1NCC(C2CC2)OCCCCCNc2cc(ccn2)-c2nc1co2.
What is the InChIKey of 9-cyclopropyl-3,10-dioxa-7,16,18,22-tetrazatricyclo[15.3.1.12,5]docosa-1(21),2(22),4,17,19-pentaen-6-one?
The InChIKey is WYWMTBFLHSFLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-18-15-12-26-19(23-15)14-6-8-21-17(10-14)20-7-2-1-3-9-25-16(11-22-18)13-4-5-13/h6,8,10,12-13,16H,1-5,7,9,11H2,(H,20,21)(H,22,24).
What are the key properties of 9-cyclopropyl-3,10-dioxa-7,16,18,22-tetrazatricyclo[15.3.1.12,5]docosa-1(21),2(22),4,17,19-pentaen-6-one?
9-cyclopropyl-3,10-dioxa-7,16,18,22-tetrazatricyclo[15.3.1.12,5]docosa-1(21),2(22),4,17,19-pentaen-6-one has a molecular weight of 356.43 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-3,10-dioxa-7,16,18,22-tetrazatricyclo[15.3.1.12,5]docosa-1(21),2(22),4,17,19-pentaen-6-one is sourced from PubChem (CID 86298865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).