13-(dimethylamino)-5-(4-methylcyclohexyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one

C18H22N4O2 — CID 11493585

IUPAC13-(dimethylamino)-5-(4-methylcyclohexyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
SMILESCC1CCC(n2cnc3c(oc4nccc(N(C)C)c43)c2=O)CC1
InChIInChI=1S/C18H22N4O2/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h8-12H,4-7H2,1-3H3
InChIKeyOYLCIUHGUBNPFB-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.35
Rot. Bonds2

About 13-(dimethylamino)-5-(4-methylcyclohexyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one

13-(dimethylamino)-5-(4-methylcyclohexyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one (PubChem CID 11493585) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 13-(dimethylamino)-5-(4-methylcyclohexyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one.

Molecular Properties

Compound Name13-(dimethylamino)-5-(4-methylcyclohexyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
PubChem CID11493585
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name13-(dimethylamino)-5-(4-methylcyclohexyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
SMILESCC1CCC(n2cnc3c(oc4nccc(N(C)C)c43)c2=O)CC1
InChIInChI=1S/C18H22N4O2/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h8-12H,4-7H2,1-3H3
InChIKeyOYLCIUHGUBNPFB-UHFFFAOYSA-N
XLogP3.35
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 13-(dimethylamino)-5-(4-methylcyclohexyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one with MolForge

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Related Compounds

13-(dimethylamino)-5-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one;13-(dimethylamino)-5-piperidin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 158600251
3-cyclopentyl-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 43955398
5-cycloheptyl-13-pyrrol-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 143160527
13-bromo-5-(4-methoxycyclohexyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 143160268
N-[13-(dimethylamino)-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-yl]cyclobutanecarboxamide
CID 143159780
13-anilino-5-[(3R)-3-methylcyclohexyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 70868990
7-bromo-3-cyclopropylimidazo[4,5-b]pyridine
CID 84700561
13-(dimethylamino)-5-ethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one;1-ethylazepane
CID 143160397
6,6-dimethyl-3-(4-methylcyclohexyl)-5,7-dihydrobenzimidazol-4-one
CID 147951547
3-cyclopentyl-5,6-dimethylpyrimidin-4-one
CID 126857571
CID 157357915
CID 157357915
3-cyclopropylpyrido[3,4-d]pyrimidin-4-one
CID 102429049

Frequently Asked Questions

What is the IUPAC name of 13-(dimethylamino)-5-(4-methylcyclohexyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one?
The IUPAC name of 13-(dimethylamino)-5-(4-methylcyclohexyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one (CID 11493585) is 13-(dimethylamino)-5-(4-methylcyclohexyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one.
What is the SMILES notation for 13-(dimethylamino)-5-(4-methylcyclohexyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one?
The canonical SMILES for 13-(dimethylamino)-5-(4-methylcyclohexyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one is CC1CCC(n2cnc3c(oc4nccc(N(C)C)c43)c2=O)CC1.
What is the InChIKey of 13-(dimethylamino)-5-(4-methylcyclohexyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one?
The InChIKey is OYLCIUHGUBNPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h8-12H,4-7H2,1-3H3.
What are the key properties of 13-(dimethylamino)-5-(4-methylcyclohexyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one?
13-(dimethylamino)-5-(4-methylcyclohexyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one has a molecular weight of 326.40 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(dimethylamino)-5-(4-methylcyclohexyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one is sourced from PubChem (CID 11493585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).