4,14-dimethyl-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(19)-pentaene

C18H25N7O2 — CID 170114572

IUPAC4,14-dimethyl-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(19)-pentaene
SMILESCc1nn2c3c1CN=C(Nc1c(nn(C4CCOCC4)c1C)OCCC2)N3
InChIInChI=1S/C18H25N7O2/c1-11-14-10-19-18-20-15-12(2)25(13-4-8-26-9-5-13)23-17(15)27-7-3-6-24(22-11)16(14)21-18/h13H,3-10H2,1-2H3,(H2,19,20,21)
InChIKeyQQNJTXSGOCQREX-UHFFFAOYSA-N
MW371.45 g/mol
LogP2.22
Rot. Bonds1

About 4,14-dimethyl-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(19)-pentaene

4,14-dimethyl-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(19)-pentaene (PubChem CID 170114572) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 4,14-dimethyl-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(19)-pentaene.

Molecular Properties

Compound Name4,14-dimethyl-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(19)-pentaene
PubChem CID170114572
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name4,14-dimethyl-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(19)-pentaene
SMILESCc1nn2c3c1CN=C(Nc1c(nn(C4CCOCC4)c1C)OCCC2)N3
InChIInChI=1S/C18H25N7O2/c1-11-14-10-19-18-20-15-12(2)25(13-4-8-26-9-5-13)23-17(15)27-7-3-6-24(22-11)16(14)21-18/h13H,3-10H2,1-2H3,(H2,19,20,21)
InChIKeyQQNJTXSGOCQREX-UHFFFAOYSA-N
XLogP2.22
TPSA90.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4,14-dimethyl-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(19)-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
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-[(3R,4S)-3-fluorooxan-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 169284154
14-chloro-4-cyclopropyl-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 168735028
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-5-(2-cyclopropyloxy-3-pyridinyl)-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 171084844
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
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
1-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine
CID 63937696

Frequently Asked Questions

What is the IUPAC name of 4,14-dimethyl-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(19)-pentaene?
The IUPAC name of 4,14-dimethyl-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(19)-pentaene (CID 170114572) is 4,14-dimethyl-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(19)-pentaene.
What is the SMILES notation for 4,14-dimethyl-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(19)-pentaene?
The canonical SMILES for 4,14-dimethyl-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(19)-pentaene is Cc1nn2c3c1CN=C(Nc1c(nn(C4CCOCC4)c1C)OCCC2)N3.
What is the InChIKey of 4,14-dimethyl-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(19)-pentaene?
The InChIKey is QQNJTXSGOCQREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-11-14-10-19-18-20-15-12(2)25(13-4-8-26-9-5-13)23-17(15)27-7-3-6-24(22-11)16(14)21-18/h13H,3-10H2,1-2H3,(H2,19,20,21).
What are the key properties of 4,14-dimethyl-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(19)-pentaene?
4,14-dimethyl-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(19)-pentaene has a molecular weight of 371.45 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,14-dimethyl-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(19)-pentaene is sourced from PubChem (CID 170114572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).