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

C24H29N5O3 — CID 175982571

IUPAC4-[(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
SMILESCOc1ccc(CC2(C(C)C)Cn3c(c4ncc(N5CCOCC5)cc4nc3=O)N2)cc1
InChIInChI=1S/C24H29N5O3/c1-16(2)24(13-17-4-6-19(31-3)7-5-17)15-29-22(27-24)21-20(26-23(29)30)12-18(14-25-21)28-8-10-32-11-9-28/h4-7,12,14,16,27H,8-11,13,15H2,1-3H3
InChIKeyPQXAOVNAXYDVSY-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.70
Rot. Bonds5

About 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

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 (PubChem CID 175982571) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID175982571
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name4-[(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
SMILESCOc1ccc(CC2(C(C)C)Cn3c(c4ncc(N5CCOCC5)cc4nc3=O)N2)cc1
InChIInChI=1S/C24H29N5O3/c1-16(2)24(13-17-4-6-19(31-3)7-5-17)15-29-22(27-24)21-20(26-23(29)30)12-18(14-25-21)28-8-10-32-11-9-28/h4-7,12,14,16,27H,8-11,13,15H2,1-3H3
InChIKeyPQXAOVNAXYDVSY-UHFFFAOYSA-N
XLogP2.70
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine
CID 162348657
4-[5-[(4-methoxyphenyl)methoxy]-2-methylquinazolin-7-yl]morpholine
CID 139330647
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-[(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
4-[1-(4-methoxyphenyl)benzimidazol-5-yl]morpholine
CID 164852088
4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one
CID 152510710
4-(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)morpholine
CID 168922552
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
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
CID 16890665
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
CID 7754339

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CC2(C(C)C)Cn3c(c4ncc(N5CCOCC5)cc4nc3=O)N2)cc1.
What is the InChIKey of 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?
The InChIKey is PQXAOVNAXYDVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-16(2)24(13-17-4-6-19(31-3)7-5-17)15-29-22(27-24)21-20(26-23(29)30)12-18(14-25-21)28-8-10-32-11-9-28/h4-7,12,14,16,27H,8-11,13,15H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 435.53 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175982571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).