ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate

C22H18N2O4 — CID 15420181

IUPACethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)c2c1c(O)c(N=O)c1ccccc12
InChIInChI=1S/C22H18N2O4/c1-3-28-22(26)17-13(2)24(14-9-5-4-6-10-14)20-16-12-8-7-11-15(16)19(23-27)21(25)18(17)20/h4-12,25H,3H2,1-2H3
InChIKeyDNZSWXHZHWSGAZ-UHFFFAOYSA-N
MW374.40 g/mol
LogP5.37
Rot. Bonds4

About ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate

ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate (PubChem CID 15420181) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate
PubChem CID15420181
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Nameethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)c2c1c(O)c(N=O)c1ccccc12
InChIInChI=1S/C22H18N2O4/c1-3-28-22(26)17-13(2)24(14-9-5-4-6-10-14)20-16-12-8-7-11-15(16)19(23-27)21(25)18(17)20/h4-12,25H,3H2,1-2H3
InChIKeyDNZSWXHZHWSGAZ-UHFFFAOYSA-N
XLogP5.37
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-3-carboxylate
CID 23792872
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
ethyl 3-hydroxy-10-nitroso-1-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2,4,6,8,10,12,14,16,18,20-decaene-12-carboxylate
CID 23833565
ethyl 2-methyl-5-(2-methylbenzoyl)oxy-1-phenylbenzo[g]indole-3-carboxylate
CID 4190776
ethyl 5-(3,5-dimethylbenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate
CID 3444588
ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate
CID 170071224
ethyl 6-bromo-1-(3-chlorophenyl)-5-hydroxy-2-methyl-4-phenyldiazenylindole-3-carboxylate
CID 135539117
ethyl 6-bromo-5-hydroxy-4-(methoxycarbonylamino)-2-methyl-1-phenylindole-3-carboxylate
CID 1040352
ethyl 2-(4-ethoxycarbonylphenyl)-3-hydroxy-1-oxoisoquinoline-4-carboxylate
CID 135503877
ethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
CID 13157266
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 2-methyl-5-(3-nitrobenzoyl)oxy-1-phenylbenzo[g]indole-3-carboxylate
CID 4177682

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate (CID 15420181) is ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate is CCOC(=O)c1c(C)n(-c2ccccc2)c2c1c(O)c(N=O)c1ccccc12.
What is the InChIKey of ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate?
The InChIKey is DNZSWXHZHWSGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-3-28-22(26)17-13(2)24(14-9-5-4-6-10-14)20-16-12-8-7-11-15(16)19(23-27)21(25)18(17)20/h4-12,25H,3H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate?
ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate has a molecular weight of 374.40 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate is sourced from PubChem (CID 15420181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).