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

C23H19FN4O2 — CID 42623305

IUPAC3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(imidazol-1-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2Cn2ccnc2)C1=O
InChIInChI=1S/C23H19FN4O2/c1-27-11-19-18(12-28-7-6-25-13-28)17-9-15(8-14-2-4-16(24)5-3-14)10-26-21(17)22(29)20(19)23(27)30/h2-7,9-10,13,29H,8,11-12H2,1H3
InChIKeyVNOODAFRIDNFJC-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.50
Rot. Bonds4

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

3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(imidazol-1-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 42623305) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(imidazol-1-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(imidazol-1-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID42623305
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(imidazol-1-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2Cn2ccnc2)C1=O
InChIInChI=1S/C23H19FN4O2/c1-27-11-19-18(12-28-7-6-25-13-28)17-9-15(8-14-2-4-16(24)5-3-14)10-26-21(17)22(29)20(19)23(27)30/h2-7,9-10,13,29H,8,11-12H2,1H3
InChIKeyVNOODAFRIDNFJC-UHFFFAOYSA-N
XLogP3.50
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-difluorophenyl)-7-(4-fluorobenzyl)-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8(7H)-one
CID 10409865
7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-N-(2-pyridylmethyl)-6H-pyrrolo[3,4-g]quinoline-5-carboxamide
CID 11744059
7-(4-Fluorobenzyl)-9-hydroxy-5-(morpholine-4-carbonyl)-6,7-dihydropyrrolo[3,4-g]quinolin-8-one
CID 15984047
7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one
CID 16072870
N-[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methyl-acetamide
CID 44446369
1-[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-1,3,3-trimethyl-urea
CID 44446371
N'-[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N,N,N'-trimethyl-oxamide
CID 44446373
5-Hydroxy-6-(4-methylimidazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinolin-1-one
CID 76318326
N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxy-quinoline-7-carboxamide
CID 15959232
5-[(4-Phenylimidazol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 164623532
N-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxy-quinoline-7-carboxamide
CID 15959230
N-[6-amino-3-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxy-quinoline-7-carboxamide
CID 135429701

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(imidazol-1-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(imidazol-1-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one (CID 42623305) is 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(imidazol-1-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(imidazol-1-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(imidazol-1-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one is CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2Cn2ccnc2)C1=O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(imidazol-1-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is VNOODAFRIDNFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-27-11-19-18(12-28-7-6-25-13-28)17-9-15(8-14-2-4-16(24)5-3-14)10-26-21(17)22(29)20(19)23(27)30/h2-7,9-10,13,29H,8,11-12H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(imidazol-1-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one?
3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(imidazol-1-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 402.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-9-hydroxy-5-(imidazol-1-ylmethyl)-7-methyl-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 42623305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).