7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one

C24H23FN4O3 — CID 10455587

IUPAC7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCN1CCN(C(=O)c2c3c(c(O)c4ncccc24)C(=O)N(Cc2ccc(F)cc2)C3)CC1
InChIInChI=1S/C24H23FN4O3/c1-27-9-11-28(12-10-27)23(31)19-17-3-2-8-26-21(17)22(30)20-18(19)14-29(24(20)32)13-15-4-6-16(25)7-5-15/h2-8,30H,9-14H2,1H3
InChIKeyXMVLPQQBYBKRSC-UHFFFAOYSA-N
MW434.47 g/mol
LogP2.62
Rot. Bonds3

About 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one

7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 10455587) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID10455587
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCN1CCN(C(=O)c2c3c(c(O)c4ncccc24)C(=O)N(Cc2ccc(F)cc2)C3)CC1
InChIInChI=1S/C24H23FN4O3/c1-27-9-11-28(12-10-27)23(31)19-17-3-2-8-26-21(17)22(30)20-18(19)14-29(24(20)32)13-15-4-6-16(25)7-5-15/h2-8,30H,9-14H2,1H3
InChIKeyXMVLPQQBYBKRSC-UHFFFAOYSA-N
XLogP2.62
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one (CID 10455587) is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one is CN1CCN(C(=O)c2c3c(c(O)c4ncccc24)C(=O)N(Cc2ccc(F)cc2)C3)CC1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is XMVLPQQBYBKRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-27-9-11-28(12-10-27)23(31)19-17-3-2-8-26-21(17)22(30)20-18(19)14-29(24(20)32)13-15-4-6-16(25)7-5-15/h2-8,30H,9-14H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 434.47 g/mol, XLogP of 2.62, 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-(4-methylpiperazine-1-carbonyl)-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 10455587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).