3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one

C32H30FN3O5 — CID 58000042

IUPAC3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCOc1ccc(COc2c3c(c(C(=O)N4CCOCC4)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1
InChIInChI=1S/C32H30FN3O5/c1-35-18-26-27(32(38)36-11-13-40-14-12-36)25-16-22(15-20-3-7-23(33)8-4-20)17-34-29(25)30(28(26)31(35)37)41-19-21-5-9-24(39-2)10-6-21/h3-10,16-17H,11-15,18-19H2,1-2H3
InChIKeyJTOYTVWQFZVAPL-UHFFFAOYSA-N
MW555.61 g/mol
LogP4.61
Rot. Bonds7

About 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one

3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 58000042) has the molecular formula C32H30FN3O5 and a molecular weight of 555.61 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID58000042
Molecular FormulaC32H30FN3O5
Molecular Weight555.61 g/mol
Exact Mass555.22
IUPAC Name3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCOc1ccc(COc2c3c(c(C(=O)N4CCOCC4)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1
InChIInChI=1S/C32H30FN3O5/c1-35-18-26-27(32(38)36-11-13-40-14-12-36)25-16-22(15-20-3-7-23(33)8-4-20)17-34-29(25)30(28(26)31(35)37)41-19-21-5-9-24(39-2)10-6-21/h3-10,16-17H,11-15,18-19H2,1-2H3
InChIKeyJTOYTVWQFZVAPL-UHFFFAOYSA-N
XLogP4.61
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.61
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-6H-pyrrolo[3,4-g]quinolin-7(8H)-yl)-3-methylphenethyl)-2-(2-methoxyphenyl)acetamide
CID 53317842
N-(1-(4-(5,9-diethoxy-6-oxo-6H-pyrrolo[3,4-g]quinolin-7(8H)-yl)-3-methylphenyl)propan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 53321772
5-(4-ethoxyphenyl)-7-(4-fluorobenzyl)-6H-pyrrolo[3,4-g]quinolin-8(7H)-one
CID 10071236
7-(4-Fluorobenzyl)-9-hydroxy-3,5-dimethoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one
CID 15984045
7-(4-Fluorobenzyl)-9-hydroxy-5-(morpholine-4-carbonyl)-6,7-dihydropyrrolo[3,4-g]quinolin-8-one
CID 15984047
ethyl 3-(7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl)benzoate
CID 44414030
ethyl 2-(7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl)benzoate
CID 44414031
7-[(4-fluorophenyl)methyl]-5,9-dimethoxy-6H,7H,8H-pyrrolo[3,4-g]quinolin-8-one
CID 24860406
[3-[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phenyl] propanoate
CID 16072872

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one (CID 58000042) is 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one is COc1ccc(COc2c3c(c(C(=O)N4CCOCC4)c4cc(Cc5ccc(F)cc5)cnc24)CN(C)C3=O)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is JTOYTVWQFZVAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN3O5/c1-35-18-26-27(32(38)36-11-13-40-14-12-36)25-16-22(15-20-3-7-23(33)8-4-20)17-34-29(25)30(28(26)31(35)37)41-19-21-5-9-24(39-2)10-6-21/h3-10,16-17H,11-15,18-19H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 555.61 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-9-[(4-methoxyphenyl)methoxy]-7-methyl-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 58000042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).