4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene

C18H25N5O3 — CID 142515128

IUPAC4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
SMILESCc1cnc2nc1OC(C)CCOc1nn(C3CCOCC3)c(C)c1N2
InChIInChI=1S/C18H25N5O3/c1-11-10-19-18-20-15-13(3)23(14-5-7-24-8-6-14)22-17(15)25-9-4-12(2)26-16(11)21-18/h10,12,14H,4-9H2,1-3H3,(H,19,20,21)
InChIKeyYSZHFOZGXIZTFH-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.93
Rot. Bonds1

About 4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene

4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene (PubChem CID 142515128) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene.

Molecular Properties

Compound Name4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
PubChem CID142515128
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
SMILESCc1cnc2nc1OC(C)CCOc1nn(C3CCOCC3)c(C)c1N2
InChIInChI=1S/C18H25N5O3/c1-11-10-19-18-20-15-13(3)23(14-5-7-24-8-6-14)22-17(15)25-9-4-12(2)26-16(11)21-18/h10,12,14H,4-9H2,1-3H3,(H,19,20,21)
InChIKeyYSZHFOZGXIZTFH-UHFFFAOYSA-N
XLogP2.93
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene with MolForge

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Related Compounds

(11R)-4,11,14-trimethyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 137418352
14-chloro-4,11-dimethyl-5-(2-methyloxan-4-yl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 137418242
4-(14-chloro-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaen-5-yl)cyclohexan-1-one
CID 137418578
14-chloro-4,11-dimethyl-5-[4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]cyclohexyl]-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 155397824
(11R)-14-chloro-4-ethyl-11-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 137418604
14-chloro-10-(difluoromethoxy)-4-methyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 155397880
14-chloro-4-methyl-5-[4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]cyclohexyl]-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 137418335
14-chloro-5-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-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 169284165
14-chloro-4-methyl-5-[(7R)-4-oxaspiro[2.5]octan-7-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 169284157
14-chloro-5-[(4R)-3,3-difluorooxan-4-yl]-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 155649502
(11R)-14-chloro-5-(3-fluoropiperidin-4-yl)-4,11-dimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 155387104
14-chloro-4-methyl-5-[1-(oxan-4-yl)ethyl]-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene;einsteinium
CID 142515107

Frequently Asked Questions

What is the IUPAC name of 4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The IUPAC name of 4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene (CID 142515128) is 4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene.
What is the SMILES notation for 4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The canonical SMILES for 4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene is Cc1cnc2nc1OC(C)CCOc1nn(C3CCOCC3)c(C)c1N2.
What is the InChIKey of 4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
The InChIKey is YSZHFOZGXIZTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-11-10-19-18-20-15-13(3)23(14-5-7-24-8-6-14)22-17(15)25-9-4-12(2)26-16(11)21-18/h10,12,14H,4-9H2,1-3H3,(H,19,20,21).
What are the key properties of 4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene?
4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene has a molecular weight of 359.43 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene is sourced from PubChem (CID 142515128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).