methyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate

C19H14N2O3 — CID 66604900

IUPACmethyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)[nH]c2c1[nH]c1cccc(=O)c12
InChIInChI=1S/C19H14N2O3/c1-24-19(23)12-10-14(11-6-3-2-4-7-11)21-18-16-13(20-17(12)18)8-5-9-15(16)22/h2-10,20-21H,1H3
InChIKeyOLLQRGNUSPOELC-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.46
Rot. Bonds2

About methyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate

methyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate (PubChem CID 66604900) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is methyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate
PubChem CID66604900
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Namemethyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)[nH]c2c1[nH]c1cccc(=O)c12
InChIInChI=1S/C19H14N2O3/c1-24-19(23)12-10-14(11-6-3-2-4-7-11)21-18-16-13(20-17(12)18)8-5-9-15(16)22/h2-10,20-21H,1H3
InChIKeyOLLQRGNUSPOELC-UHFFFAOYSA-N
XLogP3.46
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate?
The IUPAC name of methyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate (CID 66604900) is methyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate.
What is the SMILES notation for methyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate?
The canonical SMILES for methyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate is COC(=O)c1cc(-c2ccccc2)[nH]c2c1[nH]c1cccc(=O)c12.
What is the InChIKey of methyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate?
The InChIKey is OLLQRGNUSPOELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-24-19(23)12-10-14(11-6-3-2-4-7-11)21-18-16-13(20-17(12)18)8-5-9-15(16)22/h2-10,20-21H,1H3.
What are the key properties of methyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate?
methyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate has a molecular weight of 318.33 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-oxo-2-phenyl-1,5-dihydropyrido[3,2-b]indole-4-carboxylate is sourced from PubChem (CID 66604900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).