N-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C19H17FN2O2 — CID 18143184

IUPACN-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NC2CCc3ccccc32)c2ccc(F)cc2N1
InChIInChI=1S/C19H17FN2O2/c20-12-6-7-14-15(10-18(23)21-17(14)9-12)19(24)22-16-8-5-11-3-1-2-4-13(11)16/h1-4,6-7,9,15-16H,5,8,10H2,(H,21,23)(H,22,24)
InChIKeyABVXIBWQCZXFOW-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.06
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 18143184) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID18143184
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NC2CCc3ccccc32)c2ccc(F)cc2N1
InChIInChI=1S/C19H17FN2O2/c20-12-6-7-14-15(10-18(23)21-17(14)9-12)19(24)22-16-8-5-11-3-1-2-4-13(11)16/h1-4,6-7,9,15-16H,5,8,10H2,(H,21,23)(H,22,24)
InChIKeyABVXIBWQCZXFOW-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 18143184) is N-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NC2CCc3ccccc32)c2ccc(F)cc2N1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is ABVXIBWQCZXFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-12-6-7-14-15(10-18(23)21-17(14)9-12)19(24)22-16-8-5-11-3-1-2-4-13(11)16/h1-4,6-7,9,15-16H,5,8,10H2,(H,21,23)(H,22,24).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 18143184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).