2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid

C19H14FNO3 — CID 121481080

IUPAC2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid
SMILESCC1=CCNc2cc3oc(-c4ccc(F)cc4)c(C(=O)O)c3cc21
InChIInChI=1S/C19H14FNO3/c1-10-6-7-21-15-9-16-14(8-13(10)15)17(19(22)23)18(24-16)11-2-4-12(20)5-3-11/h2-6,8-9,21H,7H2,1H3,(H,22,23)
InChIKeyITXRZDFXVSQQKO-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.77
Rot. Bonds2

About 2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid

2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid (PubChem CID 121481080) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid
PubChem CID121481080
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid
SMILESCC1=CCNc2cc3oc(-c4ccc(F)cc4)c(C(=O)O)c3cc21
InChIInChI=1S/C19H14FNO3/c1-10-6-7-21-15-9-16-14(8-13(10)15)17(19(22)23)18(24-16)11-2-4-12(20)5-3-11/h2-6,8-9,21H,7H2,1H3,(H,22,23)
InChIKeyITXRZDFXVSQQKO-UHFFFAOYSA-N
XLogP4.77
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N,5-dimethyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxamide
CID 121481081
5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773376
3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate
CID 86640863
5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773378
6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773369
2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 154212021
2-(4-fluorophenyl)-5-methylidene-8-methylsulfonyl-6,7-dihydrofuro[3,2-g]quinoline-3-carboxylic acid
CID 88981487
2-(4-fluorophenyl)-6-(1H-imidazol-2-yl)-5-methoxy-1-benzofuran-3-carboxylic acid
CID 142773481
5-cyclopropyl-2-(4-fluorophenyl)-6-nitro-1-benzofuran-3-carboxylic acid
CID 141091885
6-acetyl-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 149158318
2-(4-fluorophenyl)-6-[2-(N-methylanilino)ethylamino]-5-phenyl-1-benzofuran-3-carboxylic acid
CID 123970193
2-(4-fluorophenyl)-5-propan-2-yloxy-6-pyridin-3-yl-1-benzofuran-3-carboxylic acid
CID 142773646

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid (CID 121481080) is 2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid is CC1=CCNc2cc3oc(-c4ccc(F)cc4)c(C(=O)O)c3cc21.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid?
The InChIKey is ITXRZDFXVSQQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c1-10-6-7-21-15-9-16-14(8-13(10)15)17(19(22)23)18(24-16)11-2-4-12(20)5-3-11/h2-6,8-9,21H,7H2,1H3,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid?
2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid has a molecular weight of 323.32 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid is sourced from PubChem (CID 121481080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).