ethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate

C21H17FN2O4 — CID 118140270

IUPACethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(OC)c2F)c2[nH]c3ccccc3c2[nH]c1=O
InChIInChI=1S/C21H17FN2O4/c1-3-28-21(26)16-15(12-8-6-10-14(27-2)17(12)22)19-18(24-20(16)25)11-7-4-5-9-13(11)23-19/h4-10,23H,3H2,1-2H3,(H,24,25)
InChIKeyHBXVVJWZIMCPJS-UHFFFAOYSA-N
MW380.38 g/mol
LogP4.00
Rot. Bonds4

About ethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate

ethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate (PubChem CID 118140270) has the molecular formula C21H17FN2O4 and a molecular weight of 380.38 g/mol. Its IUPAC name is ethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate
PubChem CID118140270
Molecular FormulaC21H17FN2O4
Molecular Weight380.38 g/mol
Exact Mass380.12
IUPAC Nameethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(OC)c2F)c2[nH]c3ccccc3c2[nH]c1=O
InChIInChI=1S/C21H17FN2O4/c1-3-28-21(26)16-15(12-8-6-10-14(27-2)17(12)22)19-18(24-20(16)25)11-7-4-5-9-13(11)23-19/h4-10,23H,3H2,1-2H3,(H,24,25)
InChIKeyHBXVVJWZIMCPJS-UHFFFAOYSA-N
XLogP4.00
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate with MolForge

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Related Compounds

diethyl 8-chloro-4-(2-fluoro-3-methoxyphenyl)-2-oxo-1H-pyrido[3,2-b]indole-3,5-dicarboxylate
CID 118140174
ethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate
CID 163255265
ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 21474001
ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
ethyl 2-[3-(2,6-dimethylphenyl)phenyl]-6-fluoro-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 71460676
ethyl 4-(3-methoxyphenyl)-2-oxo-1H-[1]benzothiolo[3,2-b]pyridine-3-carboxylate
CID 118156082
butyl 4-(3,4-dimethoxyphenyl)-2-oxo-1H-quinoline-3-carboxylate
CID 140995779
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
CID 22509332
ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 15856844
ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate
CID 913206

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate?
The IUPAC name of ethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate (CID 118140270) is ethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate?
The canonical SMILES for ethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate is CCOC(=O)c1c(-c2cccc(OC)c2F)c2[nH]c3ccccc3c2[nH]c1=O.
What is the InChIKey of ethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate?
The InChIKey is HBXVVJWZIMCPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4/c1-3-28-21(26)16-15(12-8-6-10-14(27-2)17(12)22)19-18(24-20(16)25)11-7-4-5-9-13(11)23-19/h4-10,23H,3H2,1-2H3,(H,24,25).
What are the key properties of ethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate?
ethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate has a molecular weight of 380.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate is sourced from PubChem (CID 118140270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).