methyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate

C29H27NO4 — CID 22738500

IUPACmethyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate
SMILESCCC1CC(=O)c2c(n(Cc3ccccc3Oc3ccccc3)c3cccc(C(=O)OC)c23)C1
InChIInChI=1S/C29H27NO4/c1-3-19-16-24-28(25(31)17-19)27-22(29(32)33-2)13-9-14-23(27)30(24)18-20-10-7-8-15-26(20)34-21-11-5-4-6-12-21/h4-15,19H,3,16-18H2,1-2H3
InChIKeyVSZMXUZSFUDTOG-UHFFFAOYSA-N
MW453.54 g/mol
LogP6.42
Rot. Bonds6

About methyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate

methyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate (PubChem CID 22738500) has the molecular formula C29H27NO4 and a molecular weight of 453.54 g/mol. Its IUPAC name is methyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate
PubChem CID22738500
Molecular FormulaC29H27NO4
Molecular Weight453.54 g/mol
Exact Mass453.19
IUPAC Namemethyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate
SMILESCCC1CC(=O)c2c(n(Cc3ccccc3Oc3ccccc3)c3cccc(C(=O)OC)c23)C1
InChIInChI=1S/C29H27NO4/c1-3-19-16-24-28(25(31)17-19)27-22(29(32)33-2)13-9-14-23(27)30(24)18-20-10-7-8-15-26(20)34-21-11-5-4-6-12-21/h4-15,19H,3,16-18H2,1-2H3
InChIKeyVSZMXUZSFUDTOG-UHFFFAOYSA-N
XLogP6.42
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.54
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 9-[(2-cyanophenyl)methyl]-5-oxo-7-pentyl-7,8-dihydro-6H-carbazole-4-carboxylate
CID 22740022
methyl 7-ethyl-5-hydroxy-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxylate
CID 22739554
methyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate
CID 22741387
methyl 9-[(2-bromophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate
CID 22740051
methyl 9-benzyl-5-oxo-7-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-carbazole-4-carboxylate
CID 142637479
methyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate
CID 22738604
2-[5-carbamoyl-2-ethyl-9-[(2-phenoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 21264313
8-fluoro-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 174414251
methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate
CID 59086102
methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate
CID 22738163
2-(cyclopropylmethylamino)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 119756337
5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168697402

Frequently Asked Questions

What is the IUPAC name of methyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate?
The IUPAC name of methyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate (CID 22738500) is methyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate.
What is the SMILES notation for methyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate?
The canonical SMILES for methyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate is CCC1CC(=O)c2c(n(Cc3ccccc3Oc3ccccc3)c3cccc(C(=O)OC)c23)C1.
What is the InChIKey of methyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate?
The InChIKey is VSZMXUZSFUDTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO4/c1-3-19-16-24-28(25(31)17-19)27-22(29(32)33-2)13-9-14-23(27)30(24)18-20-10-7-8-15-26(20)34-21-11-5-4-6-12-21/h4-15,19H,3,16-18H2,1-2H3.
What are the key properties of methyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate?
methyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate has a molecular weight of 453.54 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate is sourced from PubChem (CID 22738500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).