3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-5-[(2-methylimidazol-1-yl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one

C24H21FN4O2 — CID 42623389

IUPAC3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-5-[(2-methylimidazol-1-yl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCc1nccn1Cc1c2c(c(O)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)N(C)C2
InChIInChI=1S/C24H21FN4O2/c1-14-26-7-8-29(14)13-19-18-10-16(9-15-3-5-17(25)6-4-15)11-27-22(18)23(30)21-20(19)12-28(2)24(21)31/h3-8,10-11,30H,9,12-13H2,1-2H3
InChIKeyLDQUBVHLODBSQV-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.81
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-5-[(2-methylimidazol-1-yl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one

3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-5-[(2-methylimidazol-1-yl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 42623389) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-5-[(2-methylimidazol-1-yl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-5-[(2-methylimidazol-1-yl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID42623389
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-5-[(2-methylimidazol-1-yl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCc1nccn1Cc1c2c(c(O)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)N(C)C2
InChIInChI=1S/C24H21FN4O2/c1-14-26-7-8-29(14)13-19-18-10-16(9-15-3-5-17(25)6-4-15)11-27-22(18)23(30)21-20(19)12-28(2)24(21)31/h3-8,10-11,30H,9,12-13H2,1-2H3
InChIKeyLDQUBVHLODBSQV-UHFFFAOYSA-N
XLogP3.81
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-5-[(2-methylimidazol-1-yl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-5-[(2-methylimidazol-1-yl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one (CID 42623389) is 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-5-[(2-methylimidazol-1-yl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-5-[(2-methylimidazol-1-yl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-5-[(2-methylimidazol-1-yl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one is Cc1nccn1Cc1c2c(c(O)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)N(C)C2.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-5-[(2-methylimidazol-1-yl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is LDQUBVHLODBSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-14-26-7-8-29(14)13-19-18-10-16(9-15-3-5-17(25)6-4-15)11-27-22(18)23(30)21-20(19)12-28(2)24(21)31/h3-8,10-11,30H,9,12-13H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-5-[(2-methylimidazol-1-yl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one?
3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-5-[(2-methylimidazol-1-yl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 416.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-5-[(2-methylimidazol-1-yl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 42623389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).