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

C23H17N3O2 — CID 100999626

IUPACmethyl 6-methyl-1-quinolin-2-yl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c([nH]c3ccc(C)cc32)c(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C23H17N3O2/c1-13-7-9-18-15(11-13)16-12-20(23(27)28-2)26-22(21(16)25-18)19-10-8-14-5-3-4-6-17(14)24-19/h3-12,25H,1-2H3
InChIKeyBHBYKGSFUBXQHM-UHFFFAOYSA-N
MW367.41 g/mol
LogP5.03
Rot. Bonds2

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

methyl 6-methyl-1-quinolin-2-yl-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 100999626) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 6-methyl-1-quinolin-2-yl-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-1-quinolin-2-yl-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID100999626
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Namemethyl 6-methyl-1-quinolin-2-yl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c([nH]c3ccc(C)cc32)c(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C23H17N3O2/c1-13-7-9-18-15(11-13)16-12-20(23(27)28-2)26-22(21(16)25-18)19-10-8-14-5-3-4-6-17(14)24-19/h3-12,25H,1-2H3
InChIKeyBHBYKGSFUBXQHM-UHFFFAOYSA-N
XLogP5.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-methyl-1-quinolin-2-yl-9H-pyrido[3,4-b]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 Beta-Carboline-3-Carboxylate
CID 105078
Methyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 107704
Propyl beta-carboline-3-carboxylate
CID 123662
Methyl Carbazole-3-Carboxylate
CID 504069
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
ethyl 5-methyl-1H-indole-2-carboxylate
CID 232919
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
Methyl 4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate
CID 44143523

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-1-quinolin-2-yl-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of methyl 6-methyl-1-quinolin-2-yl-9H-pyrido[3,4-b]indole-3-carboxylate (CID 100999626) is methyl 6-methyl-1-quinolin-2-yl-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for methyl 6-methyl-1-quinolin-2-yl-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for methyl 6-methyl-1-quinolin-2-yl-9H-pyrido[3,4-b]indole-3-carboxylate is COC(=O)c1cc2c([nH]c3ccc(C)cc32)c(-c2ccc3ccccc3n2)n1.
What is the InChIKey of methyl 6-methyl-1-quinolin-2-yl-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is BHBYKGSFUBXQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-13-7-9-18-15(11-13)16-12-20(23(27)28-2)26-22(21(16)25-18)19-10-8-14-5-3-4-6-17(14)24-19/h3-12,25H,1-2H3.
What are the key properties of methyl 6-methyl-1-quinolin-2-yl-9H-pyrido[3,4-b]indole-3-carboxylate?
methyl 6-methyl-1-quinolin-2-yl-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-1-quinolin-2-yl-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 100999626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).