methyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate

C17H12N2O3 — CID 24970645

IUPACmethyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate
SMILESCOC(=O)c1c2ccccc2n2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C17H12N2O3/c1-22-17(21)14-11-7-3-5-9-13(11)19-15(14)18-12-8-4-2-6-10(12)16(19)20/h2-9,18H,1H3
InChIKeySJEKGIWFCNGPHF-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.72
Rot. Bonds1

About methyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate

methyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate (PubChem CID 24970645) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is methyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate
PubChem CID24970645
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Namemethyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate
SMILESCOC(=O)c1c2ccccc2n2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C17H12N2O3/c1-22-17(21)14-11-7-3-5-9-13(11)19-15(14)18-12-8-4-2-6-10(12)16(19)20/h2-9,18H,1H3
InChIKeySJEKGIWFCNGPHF-UHFFFAOYSA-N
XLogP2.72
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate?
The IUPAC name of methyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate (CID 24970645) is methyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate.
What is the SMILES notation for methyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate?
The canonical SMILES for methyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate is COC(=O)c1c2ccccc2n2c(=O)c3ccccc3[nH]c12.
What is the InChIKey of methyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate?
The InChIKey is SJEKGIWFCNGPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c1-22-17(21)14-11-7-3-5-9-13(11)19-15(14)18-12-8-4-2-6-10(12)16(19)20/h2-9,18H,1H3.
What are the key properties of methyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate?
methyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate has a molecular weight of 292.29 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate is sourced from PubChem (CID 24970645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).