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

C20H16FN3O3 — CID 42623724

IUPAC3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
SMILESCN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2C(N)=O)C1=O
InChIInChI=1S/C20H16FN3O3/c1-24-9-14-15(19(22)26)13-7-11(6-10-2-4-12(21)5-3-10)8-23-17(13)18(25)16(14)20(24)27/h2-5,7-8,25H,6,9H2,1H3,(H2,22,26)
InChIKeyBNEIBXAMKYCUHF-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.35
Rot. Bonds3

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

3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide (PubChem CID 42623724) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
PubChem CID42623724
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Name3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
SMILESCN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2C(N)=O)C1=O
InChIInChI=1S/C20H16FN3O3/c1-24-9-14-15(19(22)26)13-7-11(6-10-2-4-12(21)5-3-10)8-23-17(13)18(25)16(14)20(24)27/h2-5,7-8,25H,6,9H2,1H3,(H2,22,26)
InChIKeyBNEIBXAMKYCUHF-UHFFFAOYSA-N
XLogP2.35
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide (CID 42623724) is 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide is CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2C(N)=O)C1=O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
The InChIKey is BNEIBXAMKYCUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c1-24-9-14-15(19(22)26)13-7-11(6-10-2-4-12(21)5-3-10)8-23-17(13)18(25)16(14)20(24)27/h2-5,7-8,25H,6,9H2,1H3,(H2,22,26).
What are the key properties of 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide?
3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinoline-5-carboxamide is sourced from PubChem (CID 42623724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).