7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one

C25H19FN2O4 — CID 10002771

IUPAC7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one
SMILESCOc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(O)c1ccccc1
InChIInChI=1S/C25H19FN2O4/c1-32-23-18-8-5-13-27-21(18)22(29)19-20(23)25(31,16-6-3-2-4-7-16)28(24(19)30)14-15-9-11-17(26)12-10-15/h2-13,29,31H,14H2,1H3
InChIKeyPCSWPMCTWOSMTL-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.94
Rot. Bonds4

About 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one

7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one (PubChem CID 10002771) has the molecular formula C25H19FN2O4 and a molecular weight of 430.44 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one
PubChem CID10002771
Molecular FormulaC25H19FN2O4
Molecular Weight430.44 g/mol
Exact Mass430.13
IUPAC Name7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one
SMILESCOc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(O)c1ccccc1
InChIInChI=1S/C25H19FN2O4/c1-32-23-18-8-5-13-27-21(18)22(29)19-20(23)25(31,16-6-3-2-4-7-16)28(24(19)30)14-15-9-11-17(26)12-10-15/h2-13,29,31H,14H2,1H3
InChIKeyPCSWPMCTWOSMTL-UHFFFAOYSA-N
XLogP3.94
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

MF-498
CID 15948325
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 10404848
3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one
CID 24872910
3,7-bis[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 24872913
3-[(4-Fluorophenyl)methyl]-9-hydroxy-5-methoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one
CID 25218540
N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 11957776
2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide
CID 15947448
N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-ethoxyphenyl)acetamide
CID 15947546
1-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide
CID 15947639
N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-[2-(difluoromethoxy)phenyl]acetamide
CID 15947640
N-[[[4-(5,9-Diethoxy-6,8-dihydro-6-oxo-7H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methyl]sulfonyl]benzeneacetamide
CID 15948329
N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-fluorophenyl)acetamide
CID 15948439

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one (CID 10002771) is 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one is COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2(O)c1ccccc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one?
The InChIKey is PCSWPMCTWOSMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O4/c1-32-23-18-8-5-13-27-21(18)22(29)19-20(23)25(31,16-6-3-2-4-7-16)28(24(19)30)14-15-9-11-17(26)12-10-15/h2-13,29,31H,14H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one has a molecular weight of 430.44 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6-phenylpyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 10002771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).