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

C20H17FN2O4 — CID 15984045

IUPAC7-[(4-fluorophenyl)methyl]-9-hydroxy-3,5-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCOc1cnc2c(O)c3c(c(OC)c2c1)CN(Cc1ccc(F)cc1)C3=O
InChIInChI=1S/C20H17FN2O4/c1-26-13-7-14-17(22-8-13)18(24)16-15(19(14)27-2)10-23(20(16)25)9-11-3-5-12(21)6-4-11/h3-8,24H,9-10H2,1-2H3
InChIKeyNQHLSBKNTGZGQE-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.25
Rot. Bonds4

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

7-[(4-fluorophenyl)methyl]-9-hydroxy-3,5-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 15984045) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-9-hydroxy-3,5-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-9-hydroxy-3,5-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID15984045
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name7-[(4-fluorophenyl)methyl]-9-hydroxy-3,5-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCOc1cnc2c(O)c3c(c(OC)c2c1)CN(Cc1ccc(F)cc1)C3=O
InChIInChI=1S/C20H17FN2O4/c1-26-13-7-14-17(22-8-13)18(24)16-15(19(14)27-2)10-23(20(16)25)9-11-3-5-12(21)6-4-11/h3-8,24H,9-10H2,1-2H3
InChIKeyNQHLSBKNTGZGQE-UHFFFAOYSA-N
XLogP3.25
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
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
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
N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 15948558

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-3,5-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-3,5-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one (CID 15984045) is 7-[(4-fluorophenyl)methyl]-9-hydroxy-3,5-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-9-hydroxy-3,5-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-9-hydroxy-3,5-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one is COc1cnc2c(O)c3c(c(OC)c2c1)CN(Cc1ccc(F)cc1)C3=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-9-hydroxy-3,5-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is NQHLSBKNTGZGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-26-13-7-14-17(22-8-13)18(24)16-15(19(14)27-2)10-23(20(16)25)9-11-3-5-12(21)6-4-11/h3-8,24H,9-10H2,1-2H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-9-hydroxy-3,5-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-9-hydroxy-3,5-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 368.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-9-hydroxy-3,5-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 15984045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).