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

C23H16FN3O2 — CID 135059811

IUPACmethyl 1-(6-fluoroquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3cc(F)ccc3n2)c2[nH]c3ccccc3c2c1C
InChIInChI=1S/C23H16FN3O2/c1-12-19-15-5-3-4-6-17(15)26-22(19)21(27-20(12)23(28)29-2)18-9-7-13-11-14(24)8-10-16(13)25-18/h3-11,26H,1-2H3
InChIKeyNNKQHSIXDDMUPF-UHFFFAOYSA-N
MW385.40 g/mol
LogP5.17
Rot. Bonds2

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

methyl 1-(6-fluoroquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 135059811) has the molecular formula C23H16FN3O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is methyl 1-(6-fluoroquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-fluoroquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID135059811
Molecular FormulaC23H16FN3O2
Molecular Weight385.40 g/mol
Exact Mass385.12
IUPAC Namemethyl 1-(6-fluoroquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3cc(F)ccc3n2)c2[nH]c3ccccc3c2c1C
InChIInChI=1S/C23H16FN3O2/c1-12-19-15-5-3-4-6-17(15)26-22(19)21(27-20(12)23(28)29-2)18-9-7-13-11-14(24)8-10-16(13)25-18/h3-11,26H,1-2H3
InChIKeyNNKQHSIXDDMUPF-UHFFFAOYSA-N
XLogP5.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.40
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(6-fluoroquinolin-2-yl)-4-methyl-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)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of methyl 1-(6-fluoroquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate (CID 135059811) is methyl 1-(6-fluoroquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for methyl 1-(6-fluoroquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for methyl 1-(6-fluoroquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate is COC(=O)c1nc(-c2ccc3cc(F)ccc3n2)c2[nH]c3ccccc3c2c1C.
What is the InChIKey of methyl 1-(6-fluoroquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is NNKQHSIXDDMUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O2/c1-12-19-15-5-3-4-6-17(15)26-22(19)21(27-20(12)23(28)29-2)18-9-7-13-11-14(24)8-10-16(13)25-18/h3-11,26H,1-2H3.
What are the key properties of methyl 1-(6-fluoroquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
methyl 1-(6-fluoroquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 385.40 g/mol, XLogP of 5.17, 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)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 135059811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).