14-cyclopropyl-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene

C20H25N7O2 — CID 169284138

IUPAC14-cyclopropyl-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene
SMILESCc1c2c(nn1C1CCOCC1)OCCCn1nc(C3CC3)c3cnc(nc31)N2
InChIInChI=1S/C20H25N7O2/c1-12-16-19(25-27(12)14-5-9-28-10-6-14)29-8-2-7-26-18-15(11-21-20(22-16)23-18)17(24-26)13-3-4-13/h11,13-14H,2-10H2,1H3,(H,21,22,23)
InChIKeyRURKORAAXNOINA-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.09
Rot. Bonds2

About 14-cyclopropyl-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene

14-cyclopropyl-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene (PubChem CID 169284138) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 14-cyclopropyl-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene.

Molecular Properties

Compound Name14-cyclopropyl-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene
PubChem CID169284138
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name14-cyclopropyl-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene
SMILESCc1c2c(nn1C1CCOCC1)OCCCn1nc(C3CC3)c3cnc(nc31)N2
InChIInChI=1S/C20H25N7O2/c1-12-16-19(25-27(12)14-5-9-28-10-6-14)29-8-2-7-26-18-15(11-21-20(22-16)23-18)17(24-26)13-3-4-13/h11,13-14H,2-10H2,1H3,(H,21,22,23)
InChIKeyRURKORAAXNOINA-UHFFFAOYSA-N
XLogP3.09
TPSA91.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 14-cyclopropyl-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-cyclopropyl-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene?
The IUPAC name of 14-cyclopropyl-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene (CID 169284138) is 14-cyclopropyl-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene.
What is the SMILES notation for 14-cyclopropyl-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene?
The canonical SMILES for 14-cyclopropyl-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene is Cc1c2c(nn1C1CCOCC1)OCCCn1nc(C3CC3)c3cnc(nc31)N2.
What is the InChIKey of 14-cyclopropyl-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene?
The InChIKey is RURKORAAXNOINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-12-16-19(25-27(12)14-5-9-28-10-6-14)29-8-2-7-26-18-15(11-21-20(22-16)23-18)17(24-26)13-3-4-13/h11,13-14H,2-10H2,1H3,(H,21,22,23).
What are the key properties of 14-cyclopropyl-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene?
14-cyclopropyl-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene has a molecular weight of 395.47 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclopropyl-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene is sourced from PubChem (CID 169284138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).