7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide

C19H17FN2O2 — CID 86923970

IUPAC7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC1CCCc2occc21
InChIInChI=1S/C19H17FN2O2/c1-11-15(9-12-5-6-13(20)10-17(12)21-11)19(23)22-16-3-2-4-18-14(16)7-8-24-18/h5-10,16H,2-4H2,1H3,(H,22,23)
InChIKeyCSMIAEVCDZFXBO-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.08
Rot. Bonds2

About 7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide

7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide (PubChem CID 86923970) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide
PubChem CID86923970
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC1CCCc2occc21
InChIInChI=1S/C19H17FN2O2/c1-11-15(9-12-5-6-13(20)10-17(12)21-11)19(23)22-16-3-2-4-18-14(16)7-8-24-18/h5-10,16H,2-4H2,1H3,(H,22,23)
InChIKeyCSMIAEVCDZFXBO-UHFFFAOYSA-N
XLogP4.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide (CID 86923970) is 7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide is Cc1nc2cc(F)ccc2cc1C(=O)NC1CCCc2occc21.
What is the InChIKey of 7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide?
The InChIKey is CSMIAEVCDZFXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-11-15(9-12-5-6-13(20)10-17(12)21-11)19(23)22-16-3-2-4-18-14(16)7-8-24-18/h5-10,16H,2-4H2,1H3,(H,22,23).
What are the key properties of 7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide?
7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide is sourced from PubChem (CID 86923970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).