1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

C27H30N2O2 — CID 53242430

IUPAC1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
SMILES[2H]C12c3c(OC)cccc3N(CCC)c3cccc(c31)N(CCC)c1cccc(OC)c12
InChIInChI=1S/C27H30N2O2/c1-5-16-28-18-10-7-11-19-24(18)27(25-20(28)12-8-14-22(25)30-3)26-21(29(19)17-6-2)13-9-15-23(26)31-4/h7-15,27H,5-6,16-17H2,1-4H3/i27D
InChIKeyGHQRRCKYNAQIJF-BPVCDHNKSA-N
MW415.56 g/mol
LogP6.61
Rot. Bonds6

About 1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (PubChem CID 53242430) has the molecular formula C27H30N2O2 and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.

Molecular Properties

Compound Name1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
PubChem CID53242430
Molecular FormulaC27H30N2O2
Molecular Weight415.56 g/mol
Exact Mass415.24
IUPAC Name1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
SMILES[2H]C12c3c(OC)cccc3N(CCC)c3cccc(c31)N(CCC)c1cccc(OC)c12
InChIInChI=1S/C27H30N2O2/c1-5-16-28-18-10-7-11-19-24(18)27(25-20(28)12-8-14-22(25)30-3)26-21(29(19)17-6-2)13-9-15-23(26)31-4/h7-15,27H,5-6,16-17H2,1-4H3/i27D
InChIKeyGHQRRCKYNAQIJF-BPVCDHNKSA-N
XLogP6.61
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.56
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 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

1-(3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-1-yl)ethanone
CID 53242550
(2R)-2-(2,6-dimethoxyphenyl)-1-propylpyrrolidine
CID 124500725
(4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione
CID 10061844
1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide
CID 172854854
8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride
CID 67755038
1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol
CID 117200472
(6aR,12aS)-1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline
CID 69202574
1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline
CID 69048650
1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol
CID 117200379
1-methoxy-10-methyl-9-naphthalen-1-yl-9H-acridine
CID 154630868
(3aR,9bS)-9-methoxy-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole;hydrochloride
CID 67720360
1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol
CID 12651971

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The IUPAC name of 1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (CID 53242430) is 1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.
What is the SMILES notation for 1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The canonical SMILES for 1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is [2H]C12c3c(OC)cccc3N(CCC)c3cccc(c31)N(CCC)c1cccc(OC)c12.
What is the InChIKey of 1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The InChIKey is GHQRRCKYNAQIJF-BPVCDHNKSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-5-16-28-18-10-7-11-19-24(18)27(25-20(28)12-8-14-22(25)30-3)26-21(29(19)17-6-2)13-9-15-23(26)31-4/h7-15,27H,5-6,16-17H2,1-4H3/i27D.
What are the key properties of 1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene has a molecular weight of 415.56 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is sourced from PubChem (CID 53242430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).