N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide

C24H21FN2O2 — CID 42480603

IUPACN-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
SMILESO=C(NC[C@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)C1=CCCC1
InChIInChI=1S/C24H21FN2O2/c25-21-12-17(19-9-16-7-3-4-8-22(16)26-13-19)10-18-11-20(29-23(18)21)14-27-24(28)15-5-1-2-6-15/h3-5,7-10,12-13,20H,1-2,6,11,14H2,(H,27,28)/t20-/m1/s1
InChIKeyLFJKIRZVFUKJHP-HXUWFJFHSA-N
MW388.44 g/mol
LogP4.57
Rot. Bonds4

About N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide

N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide (PubChem CID 42480603) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
PubChem CID42480603
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC NameN-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
SMILESO=C(NC[C@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)C1=CCCC1
InChIInChI=1S/C24H21FN2O2/c25-21-12-17(19-9-16-7-3-4-8-22(16)26-13-19)10-18-11-20(29-23(18)21)14-27-24(28)15-5-1-2-6-15/h3-5,7-10,12-13,20H,1-2,6,11,14H2,(H,27,28)/t20-/m1/s1
InChIKeyLFJKIRZVFUKJHP-HXUWFJFHSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
The IUPAC name of N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide (CID 42480603) is N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide.
What is the SMILES notation for N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
The canonical SMILES for N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide is O=C(NC[C@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)C1=CCCC1.
What is the InChIKey of N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
The InChIKey is LFJKIRZVFUKJHP-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H21FN2O2/c25-21-12-17(19-9-16-7-3-4-8-22(16)26-13-19)10-18-11-20(29-23(18)21)14-27-24(28)15-5-1-2-6-15/h3-5,7-10,12-13,20H,1-2,6,11,14H2,(H,27,28)/t20-/m1/s1.
What are the key properties of N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide?
N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide is sourced from PubChem (CID 42480603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).