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

C19H17FN2O4 — CID 17492148

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCC2COc3ccccc3O2)c2ccc(F)cc2N1
InChIInChI=1S/C19H17FN2O4/c20-11-5-6-13-14(8-18(23)22-15(13)7-11)19(24)21-9-12-10-25-16-3-1-2-4-17(16)26-12/h1-7,12,14H,8-10H2,(H,21,24)(H,22,23)
InChIKeyMZXDEOYTUYXHIA-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.21
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 17492148) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID17492148
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCC2COc3ccccc3O2)c2ccc(F)cc2N1
InChIInChI=1S/C19H17FN2O4/c20-11-5-6-13-14(8-18(23)22-15(13)7-11)19(24)21-9-12-10-25-16-3-1-2-4-17(16)26-12/h1-7,12,14H,8-10H2,(H,21,24)(H,22,23)
InChIKeyMZXDEOYTUYXHIA-UHFFFAOYSA-N
XLogP2.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 17492148) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NCC2COc3ccccc3O2)c2ccc(F)cc2N1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is MZXDEOYTUYXHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c20-11-5-6-13-14(8-18(23)22-15(13)7-11)19(24)21-9-12-10-25-16-3-1-2-4-17(16)26-12/h1-7,12,14H,8-10H2,(H,21,24)(H,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 356.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 17492148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).