7-[(4-fluorophenyl)methyl]-6-hydroxy-5,9-dimethyl-6-prop-2-enylpyrrolo[3,4-g]quinolin-8-one

C23H21FN2O2 — CID 58929016

IUPAC7-[(4-fluorophenyl)methyl]-6-hydroxy-5,9-dimethyl-6-prop-2-enylpyrrolo[3,4-g]quinolin-8-one
SMILESC=CCC1(O)c2c(c(C)c3ncccc3c2C)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C23H21FN2O2/c1-4-11-23(28)20-14(2)18-6-5-12-25-21(18)15(3)19(20)22(27)26(23)13-16-7-9-17(24)10-8-16/h4-10,12,28H,1,11,13H2,2-3H3
InChIKeyBSSRAVATUDZABC-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.37
Rot. Bonds4

About 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,9-dimethyl-6-prop-2-enylpyrrolo[3,4-g]quinolin-8-one

7-[(4-fluorophenyl)methyl]-6-hydroxy-5,9-dimethyl-6-prop-2-enylpyrrolo[3,4-g]quinolin-8-one (PubChem CID 58929016) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,9-dimethyl-6-prop-2-enylpyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-6-hydroxy-5,9-dimethyl-6-prop-2-enylpyrrolo[3,4-g]quinolin-8-one
PubChem CID58929016
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name7-[(4-fluorophenyl)methyl]-6-hydroxy-5,9-dimethyl-6-prop-2-enylpyrrolo[3,4-g]quinolin-8-one
SMILESC=CCC1(O)c2c(c(C)c3ncccc3c2C)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C23H21FN2O2/c1-4-11-23(28)20-14(2)18-6-5-12-25-21(18)15(3)19(20)22(27)26(23)13-16-7-9-17(24)10-8-16/h4-10,12,28H,1,11,13H2,2-3H3
InChIKeyBSSRAVATUDZABC-UHFFFAOYSA-N
XLogP4.37
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,9-dimethyl-6-prop-2-enylpyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,9-dimethyl-6-prop-2-enylpyrrolo[3,4-g]quinolin-8-one (CID 58929016) is 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,9-dimethyl-6-prop-2-enylpyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,9-dimethyl-6-prop-2-enylpyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,9-dimethyl-6-prop-2-enylpyrrolo[3,4-g]quinolin-8-one is C=CCC1(O)c2c(c(C)c3ncccc3c2C)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,9-dimethyl-6-prop-2-enylpyrrolo[3,4-g]quinolin-8-one?
The InChIKey is BSSRAVATUDZABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-4-11-23(28)20-14(2)18-6-5-12-25-21(18)15(3)19(20)22(27)26(23)13-16-7-9-17(24)10-8-16/h4-10,12,28H,1,11,13H2,2-3H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,9-dimethyl-6-prop-2-enylpyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-6-hydroxy-5,9-dimethyl-6-prop-2-enylpyrrolo[3,4-g]quinolin-8-one has a molecular weight of 376.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-6-hydroxy-5,9-dimethyl-6-prop-2-enylpyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 58929016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).