4-amino-8-[2-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide

C25H23FN4O3 — CID 163255168

IUPAC4-amino-8-[2-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c(N)c2cccc(-c3cc(OCc4ccccn4)ccc3F)c2[nH]c1=O
InChIInChI=1S/C25H23FN4O3/c1-2-11-29-24(31)21-22(27)18-8-5-7-17(23(18)30-25(21)32)19-13-16(9-10-20(19)26)33-14-15-6-3-4-12-28-15/h3-10,12-13H,2,11,14H2,1H3,(H,29,31)(H3,27,30,32)
InChIKeyQVMKXYFWXJHPIX-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.03
Rot. Bonds7

About 4-amino-8-[2-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide

4-amino-8-[2-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide (PubChem CID 163255168) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 4-amino-8-[2-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-[2-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide
PubChem CID163255168
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name4-amino-8-[2-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c(N)c2cccc(-c3cc(OCc4ccccn4)ccc3F)c2[nH]c1=O
InChIInChI=1S/C25H23FN4O3/c1-2-11-29-24(31)21-22(27)18-8-5-7-17(23(18)30-25(21)32)19-13-16(9-10-20(19)26)33-14-15-6-3-4-12-28-15/h3-10,12-13H,2,11,14H2,1H3,(H,29,31)(H3,27,30,32)
InChIKeyQVMKXYFWXJHPIX-UHFFFAOYSA-N
XLogP4.03
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[2-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
The IUPAC name of 4-amino-8-[2-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide (CID 163255168) is 4-amino-8-[2-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-[2-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-amino-8-[2-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide is CCCNC(=O)c1c(N)c2cccc(-c3cc(OCc4ccccn4)ccc3F)c2[nH]c1=O.
What is the InChIKey of 4-amino-8-[2-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
The InChIKey is QVMKXYFWXJHPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-2-11-29-24(31)21-22(27)18-8-5-7-17(23(18)30-25(21)32)19-13-16(9-10-20(19)26)33-14-15-6-3-4-12-28-15/h3-10,12-13H,2,11,14H2,1H3,(H,29,31)(H3,27,30,32).
What are the key properties of 4-amino-8-[2-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
4-amino-8-[2-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide has a molecular weight of 446.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[2-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 163255168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).