2-[13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine

C26H26N4O2 — CID 4974258

IUPAC2-[13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine
SMILES[H]/N=c1/c2c(ncn1CCN(C)C)Oc1c(ccc3ccccc13)C2c1ccc(OC)cc1
InChIInChI=1S/C26H26N4O2/c1-29(2)14-15-30-16-28-26-23(25(30)27)22(18-8-11-19(31-3)12-9-18)21-13-10-17-6-4-5-7-20(17)24(21)32-26/h4-13,16,22,27H,14-15H2,1-3H3/b27-25-
InChIKeySQLSTWVWXOCLOD-RFBIWTDZSA-N
MW426.52 g/mol
LogP4.37
Rot. Bonds5

About 2-[13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine

2-[13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine (PubChem CID 4974258) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine
PubChem CID4974258
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-[13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine
SMILES[H]/N=c1/c2c(ncn1CCN(C)C)Oc1c(ccc3ccccc13)C2c1ccc(OC)cc1
InChIInChI=1S/C26H26N4O2/c1-29(2)14-15-30-16-28-26-23(25(30)27)22(18-8-11-19(31-3)12-9-18)21-13-10-17-6-4-5-7-20(17)24(21)32-26/h4-13,16,22,27H,14-15H2,1-3H3/b27-25-
InChIKeySQLSTWVWXOCLOD-RFBIWTDZSA-N
XLogP4.37
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

3-(8-imino-7-(4-methoxyphenyl)-7H-benzo[7,8]chromeno[2,3-d]pyrimidin-9(8H)-yl)-N,N-dimethylpropan-1-amine
CID 4970781
10-(2-Morpholinoethyl)-11-imino-12-(m,p-dimethoxyphenyl)-10,11-dihydro-12H-naphtho[1',2':5,6]-pyrano [2,3-d]pyrimidine
CID 3719993
7-(3,4-dimethoxyphenyl)-9-[2-(morpholin-4-yl)ethyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine
CID 3341861
10-[2-(morpholin-4-yl)ethyl]-12-phenyl-10,12-dihydro-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-11-imine
CID 3490272
12-(4-methoxyphenyl)-10-[2-(morpholin-4-yl)ethyl]-10,12-dihydro-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-11-imine
CID 3932744
9-(2-Morpholin-4-yl-ethyl)-7-phenyl-7,9-dihydro-12-oxa-9,11-diaza-benzo[a]anthracen-8-ylideneamine
CID 4266456
7-(4-methoxyphenyl)-9-[2-(morpholin-4-yl)ethyl]-7,9-dihydro-8H-benzo[7,8]chromeno[2,3-d]pyrimidin-8-imine
CID 4545471
3-(11-imino-12-phenyl-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl)propan-1-ol
CID 4556252
2-(8-imino-7-(2-methoxyphenyl)-7H-benzo[7,8]chromeno[2,3-d]pyrimidin-9(8H)-yl)-N,N-dimethylethanamine
CID 4970681
2-(8-imino-7-phenyl-7H-benzo[7,8]chromeno[2,3-d]pyrimidin-9(8H)-yl)-N,N-dimethylethanamine
CID 4971787
18-Phenyl-15-(2-phenylethyl)-11-oxa-15-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
CID 25109905
2-[7-(3,4-dimethoxyphenyl)-8-imino-7H-benzo[7,8]chromeno[2,3-d]pyrimidin-9(8H)-yl]ethanol
CID 3269211

Frequently Asked Questions

What is the IUPAC name of 2-[13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine (CID 4974258) is 2-[13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine is [H]/N=c1/c2c(ncn1CCN(C)C)Oc1c(ccc3ccccc13)C2c1ccc(OC)cc1.
What is the InChIKey of 2-[13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine?
The InChIKey is SQLSTWVWXOCLOD-RFBIWTDZSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-29(2)14-15-30-16-28-26-23(25(30)27)22(18-8-11-19(31-3)12-9-18)21-13-10-17-6-4-5-7-20(17)24(21)32-26/h4-13,16,22,27H,14-15H2,1-3H3/b27-25-.
What are the key properties of 2-[13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine?
2-[13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine has a molecular weight of 426.52 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[13-imino-11-(4-methoxyphenyl)-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 4974258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).