7-[[(2R,3S)-2,3-dimethylazetidin-1-yl]methyl]-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one

C17H19FN2O2 — CID 176996111

IUPAC7-[[(2R,3S)-2,3-dimethylazetidin-1-yl]methyl]-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one
SMILESC[C@@H]1[C@@H](C)CN1Cc1ccc2c3c(c(=O)[nH]c2c1F)CCO3
InChIInChI=1S/C17H19FN2O2/c1-9-7-20(10(9)2)8-11-3-4-12-15(14(11)18)19-17(21)13-5-6-22-16(12)13/h3-4,9-10H,5-8H2,1-2H3,(H,19,21)/t9-,10+/m0/s1
InChIKeyDWBBRTOKWFWKLW-VHSXEESVSA-N
MW302.35 g/mol
LogP2.44
Rot. Bonds2

About 7-[[(2R,3S)-2,3-dimethylazetidin-1-yl]methyl]-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one

7-[[(2R,3S)-2,3-dimethylazetidin-1-yl]methyl]-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one (PubChem CID 176996111) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 7-[[(2R,3S)-2,3-dimethylazetidin-1-yl]methyl]-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name7-[[(2R,3S)-2,3-dimethylazetidin-1-yl]methyl]-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one
PubChem CID176996111
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name7-[[(2R,3S)-2,3-dimethylazetidin-1-yl]methyl]-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one
SMILESC[C@@H]1[C@@H](C)CN1Cc1ccc2c3c(c(=O)[nH]c2c1F)CCO3
InChIInChI=1S/C17H19FN2O2/c1-9-7-20(10(9)2)8-11-3-4-12-15(14(11)18)19-17(21)13-5-6-22-16(12)13/h3-4,9-10H,5-8H2,1-2H3,(H,19,21)/t9-,10+/m0/s1
InChIKeyDWBBRTOKWFWKLW-VHSXEESVSA-N
XLogP2.44
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[[(2R,3S)-2,3-dimethylazetidin-1-yl]methyl]-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one?
The IUPAC name of 7-[[(2R,3S)-2,3-dimethylazetidin-1-yl]methyl]-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one (CID 176996111) is 7-[[(2R,3S)-2,3-dimethylazetidin-1-yl]methyl]-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one.
What is the SMILES notation for 7-[[(2R,3S)-2,3-dimethylazetidin-1-yl]methyl]-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one?
The canonical SMILES for 7-[[(2R,3S)-2,3-dimethylazetidin-1-yl]methyl]-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one is C[C@@H]1[C@@H](C)CN1Cc1ccc2c3c(c(=O)[nH]c2c1F)CCO3.
What is the InChIKey of 7-[[(2R,3S)-2,3-dimethylazetidin-1-yl]methyl]-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one?
The InChIKey is DWBBRTOKWFWKLW-VHSXEESVSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-9-7-20(10(9)2)8-11-3-4-12-15(14(11)18)19-17(21)13-5-6-22-16(12)13/h3-4,9-10H,5-8H2,1-2H3,(H,19,21)/t9-,10+/m0/s1.
What are the key properties of 7-[[(2R,3S)-2,3-dimethylazetidin-1-yl]methyl]-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one?
7-[[(2R,3S)-2,3-dimethylazetidin-1-yl]methyl]-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one has a molecular weight of 302.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(2R,3S)-2,3-dimethylazetidin-1-yl]methyl]-6-fluoro-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one is sourced from PubChem (CID 176996111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).