ethyl 2-(7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-3-yl)acetate

C19H24N2O2 — CID 91392559

IUPACethyl 2-(7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-3-yl)acetate
SMILESCCOC(=O)Cn1c2c(c3cc(C)ccc31)CN1CCC2CC1
InChIInChI=1S/C19H24N2O2/c1-3-23-18(22)12-21-17-5-4-13(2)10-15(17)16-11-20-8-6-14(7-9-20)19(16)21/h4-5,10,14H,3,6-9,11-12H2,1-2H3
InChIKeyFBJUIMAHJMBWOS-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.21
Rot. Bonds3

About ethyl 2-(7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-3-yl)acetate

ethyl 2-(7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-3-yl)acetate (PubChem CID 91392559) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is ethyl 2-(7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-3-yl)acetate
PubChem CID91392559
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Nameethyl 2-(7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-3-yl)acetate
SMILESCCOC(=O)Cn1c2c(c3cc(C)ccc31)CN1CCC2CC1
InChIInChI=1S/C19H24N2O2/c1-3-23-18(22)12-21-17-5-4-13(2)10-15(17)16-11-20-8-6-14(7-9-20)19(16)21/h4-5,10,14H,3,6-9,11-12H2,1-2H3
InChIKeyFBJUIMAHJMBWOS-UHFFFAOYSA-N
XLogP3.21
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-3-yl)acetate 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

ethyl 2-(2,9-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-6-yl)acetate
CID 58159547
7-methyl-3-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
CID 45380666
7-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
CID 45380570
N,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide
CID 58449992
ethyl 2-(6-chloro-1,2,3,3a,4,10-hexahydroindolizino[6,7-b]indol-9-yl)acetate
CID 58450012
2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 58449967
7-methyl-3-quinolin-2-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
CID 45381395
ethyl 2-[5-methyl-3-(pyrrolidin-2-ylmethyl)indol-1-yl]acetate
CID 58450019
7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene;7-methyl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
CID 160956547
ethyl 3-(2,2,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)propanoate
CID 139738845
ethyl 2-(7-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetate;hydrochloride
CID 86614329
ethyl 2-(5-methylbenzotriazol-1-yl)acetate
CID 71658803

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-3-yl)acetate?
The IUPAC name of ethyl 2-(7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-3-yl)acetate (CID 91392559) is ethyl 2-(7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-3-yl)acetate.
What is the SMILES notation for ethyl 2-(7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-3-yl)acetate?
The canonical SMILES for ethyl 2-(7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-3-yl)acetate is CCOC(=O)Cn1c2c(c3cc(C)ccc31)CN1CCC2CC1.
What is the InChIKey of ethyl 2-(7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-3-yl)acetate?
The InChIKey is FBJUIMAHJMBWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-23-18(22)12-21-17-5-4-13(2)10-15(17)16-11-20-8-6-14(7-9-20)19(16)21/h4-5,10,14H,3,6-9,11-12H2,1-2H3.
What are the key properties of ethyl 2-(7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-3-yl)acetate?
ethyl 2-(7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-3-yl)acetate has a molecular weight of 312.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-3-yl)acetate is sourced from PubChem (CID 91392559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).