ethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate

C31H25N3O3 — CID 135059953

IUPACethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(C)c2c(-c2ccc3cccc(OCc4ccccc4)c3n2)n1
InChIInChI=1S/C31H25N3O3/c1-3-36-31(35)25-18-23-22-13-7-8-14-26(22)34(2)30(23)29(33-25)24-17-16-21-12-9-15-27(28(21)32-24)37-19-20-10-5-4-6-11-20/h4-18H,3,19H2,1-2H3
InChIKeyYQFNRBFZKJIAML-UHFFFAOYSA-N
MW487.56 g/mol
LogP6.70
Rot. Bonds6

About ethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate

ethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate (PubChem CID 135059953) has the molecular formula C31H25N3O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is ethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate
PubChem CID135059953
Molecular FormulaC31H25N3O3
Molecular Weight487.56 g/mol
Exact Mass487.19
IUPAC Nameethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(C)c2c(-c2ccc3cccc(OCc4ccccc4)c3n2)n1
InChIInChI=1S/C31H25N3O3/c1-3-36-31(35)25-18-23-22-13-7-8-14-26(22)34(2)30(23)29(33-25)24-17-16-21-12-9-15-27(28(21)32-24)37-19-20-10-5-4-6-11-20/h4-18H,3,19H2,1-2H3
InChIKeyYQFNRBFZKJIAML-UHFFFAOYSA-N
XLogP6.70
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate with MolForge

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Related Compounds

ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate
CID 25266085
ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 13147294
methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate
CID 11267059
ethyl 9-[3-(3-ethoxycarbonyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate
CID 71539946
butyl 1-(3,4-dimethoxyphenyl)-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 141484492
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
CID 90294474
1-methyl-4-phenylmethoxybenzimidazol-2-amine
CID 144791590
ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate
CID 93012870
ethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate
CID 177421986
ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate
CID 11001006
2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid
CID 68600255

Frequently Asked Questions

What is the IUPAC name of ethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate (CID 135059953) is ethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1cc2c3ccccc3n(C)c2c(-c2ccc3cccc(OCc4ccccc4)c3n2)n1.
What is the InChIKey of ethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is YQFNRBFZKJIAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O3/c1-3-36-31(35)25-18-23-22-13-7-8-14-26(22)34(2)30(23)29(33-25)24-17-16-21-12-9-15-27(28(21)32-24)37-19-20-10-5-4-6-11-20/h4-18H,3,19H2,1-2H3.
What are the key properties of ethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate?
ethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 487.56 g/mol, XLogP of 6.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 135059953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).