15-(2-chlorophenyl)-4-[(2-methoxyphenyl)methyl]-4,8,15-triazatricyclo[9.5.0.02,8]hexadeca-1,10-diene-9,16-dione

C27H28ClN3O3 — CID 144820449

IUPAC15-(2-chlorophenyl)-4-[(2-methoxyphenyl)methyl]-4,8,15-triazatricyclo[9.5.0.02,8]hexadeca-1,10-diene-9,16-dione
SMILESCOc1ccccc1CN1CCCn2c(c3c(cc2=O)CCCN(c2ccccc2Cl)C3=O)C1
InChIInChI=1S/C27H28ClN3O3/c1-34-24-12-5-2-8-20(24)17-29-13-7-15-30-23(18-29)26-19(16-25(30)32)9-6-14-31(27(26)33)22-11-4-3-10-21(22)28/h2-5,8,10-12,16H,6-7,9,13-15,17-18H2,1H3
InChIKeyCEFUJPZXBVGGBL-UHFFFAOYSA-N
MW477.99 g/mol
LogP4.51
Rot. Bonds4

About 15-(2-chlorophenyl)-4-[(2-methoxyphenyl)methyl]-4,8,15-triazatricyclo[9.5.0.02,8]hexadeca-1,10-diene-9,16-dione

15-(2-chlorophenyl)-4-[(2-methoxyphenyl)methyl]-4,8,15-triazatricyclo[9.5.0.02,8]hexadeca-1,10-diene-9,16-dione (PubChem CID 144820449) has the molecular formula C27H28ClN3O3 and a molecular weight of 477.99 g/mol. Its IUPAC name is 15-(2-chlorophenyl)-4-[(2-methoxyphenyl)methyl]-4,8,15-triazatricyclo[9.5.0.02,8]hexadeca-1,10-diene-9,16-dione.

Molecular Properties

Compound Name15-(2-chlorophenyl)-4-[(2-methoxyphenyl)methyl]-4,8,15-triazatricyclo[9.5.0.02,8]hexadeca-1,10-diene-9,16-dione
PubChem CID144820449
Molecular FormulaC27H28ClN3O3
Molecular Weight477.99 g/mol
Exact Mass477.18
IUPAC Name15-(2-chlorophenyl)-4-[(2-methoxyphenyl)methyl]-4,8,15-triazatricyclo[9.5.0.02,8]hexadeca-1,10-diene-9,16-dione
SMILESCOc1ccccc1CN1CCCn2c(c3c(cc2=O)CCCN(c2ccccc2Cl)C3=O)C1
InChIInChI=1S/C27H28ClN3O3/c1-34-24-12-5-2-8-20(24)17-29-13-7-15-30-23(18-29)26-19(16-25(30)32)9-6-14-31(27(26)33)22-11-4-3-10-21(22)28/h2-5,8,10-12,16H,6-7,9,13-15,17-18H2,1H3
InChIKeyCEFUJPZXBVGGBL-UHFFFAOYSA-N
XLogP4.51
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.99
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-(2-chlorophenyl)-4-[(2-methoxyphenyl)methyl]-4,8,15-triazatricyclo[9.5.0.02,8]hexadeca-1,10-diene-9,16-dione with MolForge

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Related Compounds

1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one
CID 23053179
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110556672
7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098
8,31-bis[(2-methoxyphenyl)methyl]-15,24-dimethyl-8,15,24,31-tetrazatricyclo[31.2.2.23,6]nonatriaconta-1(35),3(39),4,6(38),33,36-hexaene
CID 11104775
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one
CID 83824146
9-methoxy-3-[(2-methoxyphenyl)methyl]-10-(4-methylpiperazine-1-carbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepin-7-one
CID 56852771
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-5-amine
CID 43370115
1-(2-chlorophenyl)-5-[[1-(2-chlorophenyl)-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl]-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 5180195
(4-chlorophenyl)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42361324

Frequently Asked Questions

What is the IUPAC name of 15-(2-chlorophenyl)-4-[(2-methoxyphenyl)methyl]-4,8,15-triazatricyclo[9.5.0.02,8]hexadeca-1,10-diene-9,16-dione?
The IUPAC name of 15-(2-chlorophenyl)-4-[(2-methoxyphenyl)methyl]-4,8,15-triazatricyclo[9.5.0.02,8]hexadeca-1,10-diene-9,16-dione (CID 144820449) is 15-(2-chlorophenyl)-4-[(2-methoxyphenyl)methyl]-4,8,15-triazatricyclo[9.5.0.02,8]hexadeca-1,10-diene-9,16-dione.
What is the SMILES notation for 15-(2-chlorophenyl)-4-[(2-methoxyphenyl)methyl]-4,8,15-triazatricyclo[9.5.0.02,8]hexadeca-1,10-diene-9,16-dione?
The canonical SMILES for 15-(2-chlorophenyl)-4-[(2-methoxyphenyl)methyl]-4,8,15-triazatricyclo[9.5.0.02,8]hexadeca-1,10-diene-9,16-dione is COc1ccccc1CN1CCCn2c(c3c(cc2=O)CCCN(c2ccccc2Cl)C3=O)C1.
What is the InChIKey of 15-(2-chlorophenyl)-4-[(2-methoxyphenyl)methyl]-4,8,15-triazatricyclo[9.5.0.02,8]hexadeca-1,10-diene-9,16-dione?
The InChIKey is CEFUJPZXBVGGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O3/c1-34-24-12-5-2-8-20(24)17-29-13-7-15-30-23(18-29)26-19(16-25(30)32)9-6-14-31(27(26)33)22-11-4-3-10-21(22)28/h2-5,8,10-12,16H,6-7,9,13-15,17-18H2,1H3.
What are the key properties of 15-(2-chlorophenyl)-4-[(2-methoxyphenyl)methyl]-4,8,15-triazatricyclo[9.5.0.02,8]hexadeca-1,10-diene-9,16-dione?
15-(2-chlorophenyl)-4-[(2-methoxyphenyl)methyl]-4,8,15-triazatricyclo[9.5.0.02,8]hexadeca-1,10-diene-9,16-dione has a molecular weight of 477.99 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-chlorophenyl)-4-[(2-methoxyphenyl)methyl]-4,8,15-triazatricyclo[9.5.0.02,8]hexadeca-1,10-diene-9,16-dione is sourced from PubChem (CID 144820449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).