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

C23H20FN3O4 — CID 15984047

IUPAC7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESO=C1c2c(c(C(=O)N3CCOCC3)c3cccnc3c2O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C23H20FN3O4/c24-15-5-3-14(4-6-15)12-27-13-17-18(22(29)26-8-10-31-11-9-26)16-2-1-7-25-20(16)21(28)19(17)23(27)30/h1-7,28H,8-13H2
InChIKeyAWHRLSWFNXNGCA-UHFFFAOYSA-N
MW421.43 g/mol
LogP2.71
Rot. Bonds3

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

7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 15984047) has the molecular formula C23H20FN3O4 and a molecular weight of 421.43 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID15984047
Molecular FormulaC23H20FN3O4
Molecular Weight421.43 g/mol
Exact Mass421.14
IUPAC Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESO=C1c2c(c(C(=O)N3CCOCC3)c3cccnc3c2O)CN1Cc1ccc(F)cc1
InChIInChI=1S/C23H20FN3O4/c24-15-5-3-14(4-6-15)12-27-13-17-18(22(29)26-8-10-31-11-9-26)16-2-1-7-25-20(16)21(28)19(17)23(27)30/h1-7,28H,8-13H2
InChIKeyAWHRLSWFNXNGCA-UHFFFAOYSA-N
XLogP2.71
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[7-(4-Fluorobenzyl)-9-Hydroxy-8-Oxo-7,8-Dihydro-6h-Pyrrolo[3,4-G]quinolin-5-Yl]-N-Methylmethanesulfonamide
CID 16097721
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 10404848
N-[3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methyl-methanesulfonamide
CID 24872105
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
(5bR)-3-[(3-chloro-2-fluorophenyl)methyl]-12-hydroxy-11-oxo-6,7,8,9-tetrahydro-5bH-indolizino[1,2-g]quinoline-5-carboxamide
CID 127051966
(5bS)-3-[(3-chloro-2-fluorophenyl)methyl]-12-hydroxy-11-oxo-6,7,8,9-tetrahydro-5bH-indolizino[1,2-g]quinoline-5-carboxamide
CID 127052275
7-(4-Fluorobenzyl)-9-hydroxy-5-methoxy-6-methyl-6,7-dihydropyrrolo[3,4-g]quinolin-8-one
CID 9998118
7'-[(4-Fluorophenyl)methyl]-9'-hydroxy-5'-methoxy-spiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-8'-one
CID 10021665
5-(4-ethoxyphenyl)-7-(4-fluorobenzyl)-6H-pyrrolo[3,4-g]quinolin-8(7H)-one
CID 10071236
[7-[(4-fluorophenyl)methyl]-9-hydroxy-6-methyl-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate
CID 10343470
7-[(4-fluorophenyl)methyl]-6,9-dihydroxy-5-methoxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 10383471

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one (CID 15984047) is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one is O=C1c2c(c(C(=O)N3CCOCC3)c3cccnc3c2O)CN1Cc1ccc(F)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is AWHRLSWFNXNGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4/c24-15-5-3-14(4-6-15)12-27-13-17-18(22(29)26-8-10-31-11-9-26)16-2-1-7-25-20(16)21(28)19(17)23(27)30/h1-7,28H,8-13H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 421.43 g/mol, XLogP of 2.71, 3 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-5-(morpholine-4-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 15984047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).