8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one

C27H27N5O3 — CID 146296121

IUPAC8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one
SMILESCOc1ccc(CN2C(=O)N3C(=NCC3c3ccccc3)c3ncc(N4CCOCC4)cc32)cc1
InChIInChI=1S/C27H27N5O3/c1-34-22-9-7-19(8-10-22)18-31-23-15-21(30-11-13-35-14-12-30)16-28-25(23)26-29-17-24(32(26)27(31)33)20-5-3-2-4-6-20/h2-10,15-16,24H,11-14,17-18H2,1H3
InChIKeyQFRMMYFEDHZYNZ-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.87
Rot. Bonds5

About 8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one

8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one (PubChem CID 146296121) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one.

Molecular Properties

Compound Name8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one
PubChem CID146296121
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one
SMILESCOc1ccc(CN2C(=O)N3C(=NCC3c3ccccc3)c3ncc(N4CCOCC4)cc32)cc1
InChIInChI=1S/C27H27N5O3/c1-34-22-9-7-19(8-10-22)18-31-23-15-21(30-11-13-35-14-12-30)16-28-25(23)26-29-17-24(32(26)27(31)33)20-5-3-2-4-6-20/h2-10,15-16,24H,11-14,17-18H2,1H3
InChIKeyQFRMMYFEDHZYNZ-UHFFFAOYSA-N
XLogP3.87
TPSA70.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one with MolForge

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Related Compounds

8-[(4-methoxyphenyl)methyl]-5-methyl-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraene-4,7-dione
CID 166705508
8-[(3,5-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-11-morpholin-4-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one
CID 146296122
8-[(3,5-dimethoxyphenyl)methyl]-11-morpholin-4-yl-4-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one
CID 146295991
4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine
CID 162348657
(5E)-3-[(4-methoxyphenyl)methyl]-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 6375600
4-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-4-propan-2-yl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1,8,10,12-tetraen-7-one
CID 175982571
2-[(4-methoxyphenyl)methyl]-5-morpholin-4-yl-6-nitroisoindole-1,3-dione
CID 46374605
8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
CID 146301230
4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one
CID 152510710
1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione
CID 25105963
4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
CID 1431724
3-[3-[4-[1-(6-bromo-3-pyridinyl)piperidin-4-yl]piperidin-1-yl]phenyl]-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 175959328

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one?
The IUPAC name of 8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one (CID 146296121) is 8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one.
What is the SMILES notation for 8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one?
The canonical SMILES for 8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one is COc1ccc(CN2C(=O)N3C(=NCC3c3ccccc3)c3ncc(N4CCOCC4)cc32)cc1.
What is the InChIKey of 8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one?
The InChIKey is QFRMMYFEDHZYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-34-22-9-7-19(8-10-22)18-31-23-15-21(30-11-13-35-14-12-30)16-28-25(23)26-29-17-24(32(26)27(31)33)20-5-3-2-4-6-20/h2-10,15-16,24H,11-14,17-18H2,1H3.
What are the key properties of 8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one?
8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one has a molecular weight of 469.55 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxyphenyl)methyl]-11-morpholin-4-yl-5-phenyl-3,6,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-one is sourced from PubChem (CID 146296121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).