(2R,7R)-4-(methoxymethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene

C18H25N3O — CID 57047379

IUPAC(2R,7R)-4-(methoxymethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene
SMILESCCCN1CC(COC)C[C@@H]2c3cccc4n[nH]c(c34)C[C@H]21
InChIInChI=1S/C18H25N3O/c1-3-7-21-10-12(11-22-2)8-14-13-5-4-6-15-18(13)16(20-19-15)9-17(14)21/h4-6,12,14,17H,3,7-11H2,1-2H3,(H,19,20)/t12?,14-,17-/m1/s1
InChIKeyJZFYMDYWUAVHAR-MRXJRLSOSA-N
MW299.42 g/mol
LogP2.95
Rot. Bonds4

About (2R,7R)-4-(methoxymethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene

(2R,7R)-4-(methoxymethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene (PubChem CID 57047379) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (2R,7R)-4-(methoxymethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene.

Molecular Properties

Compound Name(2R,7R)-4-(methoxymethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene
PubChem CID57047379
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(2R,7R)-4-(methoxymethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene
SMILESCCCN1CC(COC)C[C@@H]2c3cccc4n[nH]c(c34)C[C@H]21
InChIInChI=1S/C18H25N3O/c1-3-7-21-10-12(11-22-2)8-14-13-5-4-6-15-18(13)16(20-19-15)9-17(14)21/h4-6,12,14,17H,3,7-11H2,1-2H3,(H,19,20)/t12?,14-,17-/m1/s1
InChIKeyJZFYMDYWUAVHAR-MRXJRLSOSA-N
XLogP2.95
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,7R)-4-(methoxymethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene with MolForge

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Related Compounds

(Z)-but-2-enedioic acid;(2R,4R,7R)-4-(methylsulfanylmethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene
CID 70528473
(6aR,9R)-9-(methoxymethyl)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
CID 18652439
(6aR,9R,10aR)-9-(methoxymethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid
CID 88782793
(6aR,9R,10aR)-5-chloro-9-(methoxymethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;butanedioic acid
CID 70042103
[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanamine
CID 13060633
[(6aS,10aS)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
CID 69137115
[(6aR,9R,10aR)-5-prop-1-en-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl acetate
CID 67885554
(9R)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
CID 11392877
(6aR,10aR)-9-(methylsulfinylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
CID 57108510
[(6aR,9R)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-5-yl]methanol
CID 67885650
4-[[(6aR,9S,10aS)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]piperazine-2,6-dione
CID 11794185
[(6aR,9R,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl acetate;hexakis(N-[[(6aR,9S,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-5-oxohexanamide)
CID 158241639

Frequently Asked Questions

What is the IUPAC name of (2R,7R)-4-(methoxymethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene?
The IUPAC name of (2R,7R)-4-(methoxymethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene (CID 57047379) is (2R,7R)-4-(methoxymethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene.
What is the SMILES notation for (2R,7R)-4-(methoxymethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene?
The canonical SMILES for (2R,7R)-4-(methoxymethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene is CCCN1CC(COC)C[C@@H]2c3cccc4n[nH]c(c34)C[C@H]21.
What is the InChIKey of (2R,7R)-4-(methoxymethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene?
The InChIKey is JZFYMDYWUAVHAR-MRXJRLSOSA-N. The full InChI is InChI=1S/C18H25N3O/c1-3-7-21-10-12(11-22-2)8-14-13-5-4-6-15-18(13)16(20-19-15)9-17(14)21/h4-6,12,14,17H,3,7-11H2,1-2H3,(H,19,20)/t12?,14-,17-/m1/s1.
What are the key properties of (2R,7R)-4-(methoxymethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene?
(2R,7R)-4-(methoxymethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene has a molecular weight of 299.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7R)-4-(methoxymethyl)-6-propyl-6,10,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9(16),11,13-tetraene is sourced from PubChem (CID 57047379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).