methyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate

C14H12N2O3 — CID 10634802

IUPACmethyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate
SMILESCOC(=O)c1[nH]c(C)c2c(=O)[nH]c3ccccc3c12
InChIInChI=1S/C14H12N2O3/c1-7-10-11(12(15-7)14(18)19-2)8-5-3-4-6-9(8)16-13(10)17/h3-6,15H,1-2H3,(H,16,17)
InChIKeyLVCJLDZHMOTWHF-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.10
Rot. Bonds1

About methyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate

methyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate (PubChem CID 10634802) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate
PubChem CID10634802
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Namemethyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate
SMILESCOC(=O)c1[nH]c(C)c2c(=O)[nH]c3ccccc3c12
InChIInChI=1S/C14H12N2O3/c1-7-10-11(12(15-7)14(18)19-2)8-5-3-4-6-9(8)16-13(10)17/h3-6,15H,1-2H3,(H,16,17)
InChIKeyLVCJLDZHMOTWHF-UHFFFAOYSA-N
XLogP2.10
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate with MolForge

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Related Compounds

methyl 3-methyl-4-oxo-5H-furo[3,4-c]quinoline-1-carboxylate
CID 10729818
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
ethane;methyl 3-formyl-1H-indole-2-carboxylate
CID 143494583
methyl 4-methyl-1,5-dioxo-2H-2-benzazepine-3-carboxylate
CID 139182447
methyl 3-(hydroxyiminomethyl)-1H-indole-2-carboxylate
CID 135463087
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
ethyl 3-amino-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxylate
CID 11369716
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
methyl 3-propanoyl-1H-indole-2-carboxylate
CID 23245117
methyl 3-(4-methoxy-4-oxobutyl)-1H-indole-2-carboxylate
CID 68579658
methyl 9H-pyrido[3,4-b]indole-4-carboxylate
CID 11345149

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate?
The IUPAC name of methyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate (CID 10634802) is methyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate.
What is the SMILES notation for methyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate?
The canonical SMILES for methyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate is COC(=O)c1[nH]c(C)c2c(=O)[nH]c3ccccc3c12.
What is the InChIKey of methyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate?
The InChIKey is LVCJLDZHMOTWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-7-10-11(12(15-7)14(18)19-2)8-5-3-4-6-9(8)16-13(10)17/h3-6,15H,1-2H3,(H,16,17).
What are the key properties of methyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate?
methyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-oxo-2,5-dihydropyrrolo[3,4-c]quinoline-1-carboxylate is sourced from PubChem (CID 10634802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).