dimethyl 13-hydroxy-1,8-dimethyl-3-oxo-4H-quinolino[7,6-c]carbazole-6,7-dicarboxylate

C25H20N2O6 — CID 101242791

IUPACdimethyl 13-hydroxy-1,8-dimethyl-3-oxo-4H-quinolino[7,6-c]carbazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2c(c3ccccc3n2C)c2c(O)c3c(C)cc(=O)[nH]c3cc12
InChIInChI=1S/C25H20N2O6/c1-11-9-16(28)26-14-10-13-19(23(29)17(11)14)18-12-7-5-6-8-15(12)27(2)22(18)21(25(31)33-4)20(13)24(30)32-3/h5-10,29H,1-4H3,(H,26,28)
InChIKeyRQMJVURNPOFZAO-UHFFFAOYSA-N
MW444.44 g/mol
LogP3.91
Rot. Bonds2

About dimethyl 13-hydroxy-1,8-dimethyl-3-oxo-4H-quinolino[7,6-c]carbazole-6,7-dicarboxylate

dimethyl 13-hydroxy-1,8-dimethyl-3-oxo-4H-quinolino[7,6-c]carbazole-6,7-dicarboxylate (PubChem CID 101242791) has the molecular formula C25H20N2O6 and a molecular weight of 444.44 g/mol. Its IUPAC name is dimethyl 13-hydroxy-1,8-dimethyl-3-oxo-4H-quinolino[7,6-c]carbazole-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 13-hydroxy-1,8-dimethyl-3-oxo-4H-quinolino[7,6-c]carbazole-6,7-dicarboxylate
PubChem CID101242791
Molecular FormulaC25H20N2O6
Molecular Weight444.44 g/mol
Exact Mass444.13
IUPAC Namedimethyl 13-hydroxy-1,8-dimethyl-3-oxo-4H-quinolino[7,6-c]carbazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2c(c3ccccc3n2C)c2c(O)c3c(C)cc(=O)[nH]c3cc12
InChIInChI=1S/C25H20N2O6/c1-11-9-16(28)26-14-10-13-19(23(29)17(11)14)18-12-7-5-6-8-15(12)27(2)22(18)21(25(31)33-4)20(13)24(30)32-3/h5-10,29H,1-4H3,(H,26,28)
InChIKeyRQMJVURNPOFZAO-UHFFFAOYSA-N
XLogP3.91
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9,17,27-trimethyl-9,14,24-triazaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1,3,5,7,10,13(18),16,20,23(28),26-decaene-12,15,19,22,25,29-hexone
CID 11202896
methyl 1-hydroxy-9-methylcarbazole-3-carboxylate
CID 21192144
methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate
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methyl 5-methyl-2-(3-nitrophenyl)-1-oxopyrido[4,3-b]indole-4-carboxylate
CID 15941871
methyl 1-methyl-2-propylindole-3-carboxylate
CID 102080307
methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate
CID 10704781
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
methyl 2-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 130083978
1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one
CID 102480133
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
9,18-dimethyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
CID 176883130

Frequently Asked Questions

What is the IUPAC name of dimethyl 13-hydroxy-1,8-dimethyl-3-oxo-4H-quinolino[7,6-c]carbazole-6,7-dicarboxylate?
The IUPAC name of dimethyl 13-hydroxy-1,8-dimethyl-3-oxo-4H-quinolino[7,6-c]carbazole-6,7-dicarboxylate (CID 101242791) is dimethyl 13-hydroxy-1,8-dimethyl-3-oxo-4H-quinolino[7,6-c]carbazole-6,7-dicarboxylate.
What is the SMILES notation for dimethyl 13-hydroxy-1,8-dimethyl-3-oxo-4H-quinolino[7,6-c]carbazole-6,7-dicarboxylate?
The canonical SMILES for dimethyl 13-hydroxy-1,8-dimethyl-3-oxo-4H-quinolino[7,6-c]carbazole-6,7-dicarboxylate is COC(=O)c1c(C(=O)OC)c2c(c3ccccc3n2C)c2c(O)c3c(C)cc(=O)[nH]c3cc12.
What is the InChIKey of dimethyl 13-hydroxy-1,8-dimethyl-3-oxo-4H-quinolino[7,6-c]carbazole-6,7-dicarboxylate?
The InChIKey is RQMJVURNPOFZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O6/c1-11-9-16(28)26-14-10-13-19(23(29)17(11)14)18-12-7-5-6-8-15(12)27(2)22(18)21(25(31)33-4)20(13)24(30)32-3/h5-10,29H,1-4H3,(H,26,28).
What are the key properties of dimethyl 13-hydroxy-1,8-dimethyl-3-oxo-4H-quinolino[7,6-c]carbazole-6,7-dicarboxylate?
dimethyl 13-hydroxy-1,8-dimethyl-3-oxo-4H-quinolino[7,6-c]carbazole-6,7-dicarboxylate has a molecular weight of 444.44 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 13-hydroxy-1,8-dimethyl-3-oxo-4H-quinolino[7,6-c]carbazole-6,7-dicarboxylate is sourced from PubChem (CID 101242791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).