7-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide

C21H18FN3O3 — CID 10022606

IUPAC7-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
SMILESCN(C)C(=O)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C21H18FN3O3/c1-24(2)20(27)16-14-4-3-9-23-18(14)19(26)17-15(16)11-25(21(17)28)10-12-5-7-13(22)8-6-12/h3-9,26H,10-11H2,1-2H3
InChIKeyOKKRPYKSUPFMRF-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.94
Rot. Bonds3

About 7-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide

7-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide (PubChem CID 10022606) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
PubChem CID10022606
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name7-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
SMILESCN(C)C(=O)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C21H18FN3O3/c1-24(2)20(27)16-14-4-3-9-23-18(14)19(26)17-15(16)11-25(21(17)28)10-12-5-7-13(22)8-6-12/h3-9,26H,10-11H2,1-2H3
InChIKeyOKKRPYKSUPFMRF-UHFFFAOYSA-N
XLogP2.94
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide (CID 10022606) is 7-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide is CN(C)C(=O)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The InChIKey is OKKRPYKSUPFMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-24(2)20(27)16-14-4-3-9-23-18(14)19(26)17-15(16)11-25(21(17)28)10-12-5-7-13(22)8-6-12/h3-9,26H,10-11H2,1-2H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
7-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide is sourced from PubChem (CID 10022606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).