[5-[(4-fluorophenyl)methyl]furan-2-yl]-(8-hydroxy-5,7-dimethyl-8H-quinolin-7-yl)methanone

C23H20FNO3 — CID 163637643

IUPAC[5-[(4-fluorophenyl)methyl]furan-2-yl]-(8-hydroxy-5,7-dimethyl-8H-quinolin-7-yl)methanone
SMILESCC1=CC(C)(C(=O)c2ccc(Cc3ccc(F)cc3)o2)C(O)c2ncccc21
InChIInChI=1S/C23H20FNO3/c1-14-13-23(2,22(27)20-18(14)4-3-11-25-20)21(26)19-10-9-17(28-19)12-15-5-7-16(24)8-6-15/h3-11,13,22,27H,12H2,1-2H3
InChIKeyIBOJMUOETYGJQT-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.74
Rot. Bonds4

About [5-[(4-fluorophenyl)methyl]furan-2-yl]-(8-hydroxy-5,7-dimethyl-8H-quinolin-7-yl)methanone

[5-[(4-fluorophenyl)methyl]furan-2-yl]-(8-hydroxy-5,7-dimethyl-8H-quinolin-7-yl)methanone (PubChem CID 163637643) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methyl]furan-2-yl]-(8-hydroxy-5,7-dimethyl-8H-quinolin-7-yl)methanone.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methyl]furan-2-yl]-(8-hydroxy-5,7-dimethyl-8H-quinolin-7-yl)methanone
PubChem CID163637643
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Name[5-[(4-fluorophenyl)methyl]furan-2-yl]-(8-hydroxy-5,7-dimethyl-8H-quinolin-7-yl)methanone
SMILESCC1=CC(C)(C(=O)c2ccc(Cc3ccc(F)cc3)o2)C(O)c2ncccc21
InChIInChI=1S/C23H20FNO3/c1-14-13-23(2,22(27)20-18(14)4-3-11-25-20)21(26)19-10-9-17(28-19)12-15-5-7-16(24)8-6-15/h3-11,13,22,27H,12H2,1-2H3
InChIKeyIBOJMUOETYGJQT-UHFFFAOYSA-N
XLogP4.74
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[(4-fluorophenyl)methyl]furan-2-yl]-(8-hydroxy-5,7-dimethyl-8H-quinolin-7-yl)methanone with MolForge

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Related Compounds

1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-(methylamino)propan-1-one
CID 141277071
4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide
CID 69138597
4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2,4-dioxobutanoic acid
CID 91404110
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-3,4-dihydro-2H-pyrrole-5-carbaldehyde
CID 174458535
(Z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-pyrazin-2-ylprop-2-en-1-one
CID 6478848
methyl (Z)-4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-4-hydroxy-2-oxobut-3-enoate
CID 22209624
5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid
CID 83641773
6-[(Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxy-3-oxoprop-1-enyl]pyridine-3-carboxylic acid
CID 6478850
3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1,2-oxazol-3-yl)propane-1,2-dione
CID 68555967
2-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-methyl-3-phenylmethoxypyran-4-one
CID 142666049
cyclopropyl N-tert-butyl-N-[3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-oxopropyl]carbamate
CID 174458503
1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 79094528

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methyl]furan-2-yl]-(8-hydroxy-5,7-dimethyl-8H-quinolin-7-yl)methanone?
The IUPAC name of [5-[(4-fluorophenyl)methyl]furan-2-yl]-(8-hydroxy-5,7-dimethyl-8H-quinolin-7-yl)methanone (CID 163637643) is [5-[(4-fluorophenyl)methyl]furan-2-yl]-(8-hydroxy-5,7-dimethyl-8H-quinolin-7-yl)methanone.
What is the SMILES notation for [5-[(4-fluorophenyl)methyl]furan-2-yl]-(8-hydroxy-5,7-dimethyl-8H-quinolin-7-yl)methanone?
The canonical SMILES for [5-[(4-fluorophenyl)methyl]furan-2-yl]-(8-hydroxy-5,7-dimethyl-8H-quinolin-7-yl)methanone is CC1=CC(C)(C(=O)c2ccc(Cc3ccc(F)cc3)o2)C(O)c2ncccc21.
What is the InChIKey of [5-[(4-fluorophenyl)methyl]furan-2-yl]-(8-hydroxy-5,7-dimethyl-8H-quinolin-7-yl)methanone?
The InChIKey is IBOJMUOETYGJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3/c1-14-13-23(2,22(27)20-18(14)4-3-11-25-20)21(26)19-10-9-17(28-19)12-15-5-7-16(24)8-6-15/h3-11,13,22,27H,12H2,1-2H3.
What are the key properties of [5-[(4-fluorophenyl)methyl]furan-2-yl]-(8-hydroxy-5,7-dimethyl-8H-quinolin-7-yl)methanone?
[5-[(4-fluorophenyl)methyl]furan-2-yl]-(8-hydroxy-5,7-dimethyl-8H-quinolin-7-yl)methanone has a molecular weight of 377.42 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methyl]furan-2-yl]-(8-hydroxy-5,7-dimethyl-8H-quinolin-7-yl)methanone is sourced from PubChem (CID 163637643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).