methyl 9H-pyrido[3,4-b]indole-4-carboxylate

C13H10N2O2 — CID 11345149

IUPACmethyl 9H-pyrido[3,4-b]indole-4-carboxylate
SMILESCOC(=O)c1cncc2[nH]c3ccccc3c12
InChIInChI=1S/C13H10N2O2/c1-17-13(16)9-6-14-7-11-12(9)8-4-2-3-5-10(8)15-11/h2-7,15H,1H3
InChIKeyQXRYUQOLGJURPZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.50
Rot. Bonds1

About methyl 9H-pyrido[3,4-b]indole-4-carboxylate

methyl 9H-pyrido[3,4-b]indole-4-carboxylate (PubChem CID 11345149) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is methyl 9H-pyrido[3,4-b]indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 9H-pyrido[3,4-b]indole-4-carboxylate
PubChem CID11345149
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Namemethyl 9H-pyrido[3,4-b]indole-4-carboxylate
SMILESCOC(=O)c1cncc2[nH]c3ccccc3c12
InChIInChI=1S/C13H10N2O2/c1-17-13(16)9-6-14-7-11-12(9)8-4-2-3-5-10(8)15-11/h2-7,15H,1H3
InChIKeyQXRYUQOLGJURPZ-UHFFFAOYSA-N
XLogP2.50
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate
CID 10593388
methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate
CID 13351962
4-hydroxy-10H-benzo[b][1,7]naphthyridin-5-one
CID 91356808
methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate
CID 11737569
methyl 2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-7-carboxylate
CID 139026429
methyl 2-oxo-1H-quinazoline-5-carboxylate
CID 174971461
methyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate
CID 631008
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 2-bromo-5H-pyrido[3,2-b]indole-4-carboxylate
CID 141272509
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407

Frequently Asked Questions

What is the IUPAC name of methyl 9H-pyrido[3,4-b]indole-4-carboxylate?
The IUPAC name of methyl 9H-pyrido[3,4-b]indole-4-carboxylate (CID 11345149) is methyl 9H-pyrido[3,4-b]indole-4-carboxylate.
What is the SMILES notation for methyl 9H-pyrido[3,4-b]indole-4-carboxylate?
The canonical SMILES for methyl 9H-pyrido[3,4-b]indole-4-carboxylate is COC(=O)c1cncc2[nH]c3ccccc3c12.
What is the InChIKey of methyl 9H-pyrido[3,4-b]indole-4-carboxylate?
The InChIKey is QXRYUQOLGJURPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-17-13(16)9-6-14-7-11-12(9)8-4-2-3-5-10(8)15-11/h2-7,15H,1H3.
What are the key properties of methyl 9H-pyrido[3,4-b]indole-4-carboxylate?
methyl 9H-pyrido[3,4-b]indole-4-carboxylate has a molecular weight of 226.24 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9H-pyrido[3,4-b]indole-4-carboxylate is sourced from PubChem (CID 11345149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).