methyl 1-(6-fluoroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate

C22H14FN3O2 — CID 100999622

IUPACmethyl 1-(6-fluoroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3cc(F)ccc3n2)n1
InChIInChI=1S/C22H14FN3O2/c1-28-22(27)19-11-15-14-4-2-3-5-17(14)25-20(15)21(26-19)18-8-6-12-10-13(23)7-9-16(12)24-18/h2-11,25H,1H3
InChIKeyOVQXDKMJUVCTSH-UHFFFAOYSA-N
MW371.37 g/mol
LogP4.86
Rot. Bonds2

About methyl 1-(6-fluoroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate

methyl 1-(6-fluoroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 100999622) has the molecular formula C22H14FN3O2 and a molecular weight of 371.37 g/mol. Its IUPAC name is methyl 1-(6-fluoroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-fluoroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID100999622
Molecular FormulaC22H14FN3O2
Molecular Weight371.37 g/mol
Exact Mass371.11
IUPAC Namemethyl 1-(6-fluoroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3cc(F)ccc3n2)n1
InChIInChI=1S/C22H14FN3O2/c1-28-22(27)19-11-15-14-4-2-3-5-17(14)25-20(15)21(26-19)18-8-6-12-10-13(23)7-9-16(12)24-18/h2-11,25H,1H3
InChIKeyOVQXDKMJUVCTSH-UHFFFAOYSA-N
XLogP4.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(6-fluoroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate with MolForge

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Related Compounds

Ethyl Beta-Carboline-3-Carboxylate
CID 105078
Methyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 107704
Propyl beta-carboline-3-carboxylate
CID 123662
Harman-3-Carboxylic Acid
CID 5406157
Methyl 1-methyl-9H-pyrido(3,4-b)indole-3-carboxylate
CID 5291723
9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-acetyl-
CID 5488588
1,1-Dimethylethyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 124514
Nbbcc
CID 128618
ethyl 6-iodo-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13037317
4-Methoxymethyl-9H-beta-carboline-3-carboxylic acid ethyl ester
CID 13041786
methyl 3-[(2-fluorobenzoyl)amino]-1H-indole-2-carboxylate
CID 947964
methyl 1-(7-acetamido-5,8-dioxo-2-quinolyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 3011654

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-fluoroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of methyl 1-(6-fluoroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate (CID 100999622) is methyl 1-(6-fluoroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for methyl 1-(6-fluoroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for methyl 1-(6-fluoroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate is COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3cc(F)ccc3n2)n1.
What is the InChIKey of methyl 1-(6-fluoroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is OVQXDKMJUVCTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN3O2/c1-28-22(27)19-11-15-14-4-2-3-5-17(14)25-20(15)21(26-19)18-8-6-12-10-13(23)7-9-16(12)24-18/h2-11,25H,1H3.
What are the key properties of methyl 1-(6-fluoroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate?
methyl 1-(6-fluoroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 371.37 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-fluoroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 100999622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).