N-(2-phenylmethoxyphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine

C27H27N3O5 — CID 155526614

IUPACN-(2-phenylmethoxyphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
SMILESc1ccc(COc2ccccc2Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)cc1
InChIInChI=1S/C27H27N3O5/c1-2-6-20(7-3-1)18-35-24-9-5-4-8-22(24)30-27-21-16-25-26(17-23(21)28-19-29-27)34-15-13-32-11-10-31-12-14-33-25/h1-9,16-17,19H,10-15,18H2,(H,28,29,30)
InChIKeyXREGJGFQHDZASW-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.76
Rot. Bonds5

About N-(2-phenylmethoxyphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine

N-(2-phenylmethoxyphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine (PubChem CID 155526614) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-(2-phenylmethoxyphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine.

Molecular Properties

Compound NameN-(2-phenylmethoxyphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
PubChem CID155526614
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC NameN-(2-phenylmethoxyphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
SMILESc1ccc(COc2ccccc2Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)cc1
InChIInChI=1S/C27H27N3O5/c1-2-6-20(7-3-1)18-35-24-9-5-4-8-22(24)30-27-21-16-25-26(17-23(21)28-19-29-27)34-15-13-32-11-10-31-12-14-33-25/h1-9,16-17,19H,10-15,18H2,(H,28,29,30)
InChIKeyXREGJGFQHDZASW-UHFFFAOYSA-N
XLogP4.76
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-phenylmethoxyphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine with MolForge

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
CID 10216482
14-[[2-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethoxy)phenoxy]methyl]-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaene
CID 11491620
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
N-(2-bromo-4-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine
CID 141250948
N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine
CID 141288058
6,6,7,7-tetradeuterio-N-(3-ethynylphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
CID 73053620
N-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride
CID 67719057
6-ethyl-N-(2-methoxyphenyl)quinazolin-4-amine
CID 21002616
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
4-(2-methoxyanilino)quinazoline-7-carboxylic acid
CID 1414161

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxyphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine?
The IUPAC name of N-(2-phenylmethoxyphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine (CID 155526614) is N-(2-phenylmethoxyphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine.
What is the SMILES notation for N-(2-phenylmethoxyphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine?
The canonical SMILES for N-(2-phenylmethoxyphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine is c1ccc(COc2ccccc2Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)cc1.
What is the InChIKey of N-(2-phenylmethoxyphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine?
The InChIKey is XREGJGFQHDZASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-2-6-20(7-3-1)18-35-24-9-5-4-8-22(24)30-27-21-16-25-26(17-23(21)28-19-29-27)34-15-13-32-11-10-31-12-14-33-25/h1-9,16-17,19H,10-15,18H2,(H,28,29,30).
What are the key properties of N-(2-phenylmethoxyphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine?
N-(2-phenylmethoxyphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine has a molecular weight of 473.53 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine is sourced from PubChem (CID 155526614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).