7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

C24H25FN4O6 — CID 54679159

IUPAC7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3C(=O)N3CCOCC3)cc21
InChIInChI=1S/C24H25FN4O6/c1-28-18-11-14(13-27-20(18)21(31)19(24(28)34)22(32)26-4-7-30)10-15-2-3-16(25)12-17(15)23(33)29-5-8-35-9-6-29/h2-3,11-13,30-31H,4-10H2,1H3,(H,26,32)
InChIKeyZNJVKZYOJBTRFE-UHFFFAOYSA-N
MW484.48 g/mol
LogP0.56
Rot. Bonds6

About 7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 54679159) has the molecular formula C24H25FN4O6 and a molecular weight of 484.48 g/mol. Its IUPAC name is 7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID54679159
Molecular FormulaC24H25FN4O6
Molecular Weight484.48 g/mol
Exact Mass484.18
IUPAC Name7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3C(=O)N3CCOCC3)cc21
InChIInChI=1S/C24H25FN4O6/c1-28-18-11-14(13-27-20(18)21(31)19(24(28)34)22(32)26-4-7-30)10-15-2-3-16(25)12-17(15)23(33)29-5-8-35-9-6-29/h2-3,11-13,30-31H,4-10H2,1H3,(H,26,32)
InChIKeyZNJVKZYOJBTRFE-UHFFFAOYSA-N
XLogP0.56
TPSA133.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 54679159) is 7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3C(=O)N3CCOCC3)cc21.
What is the InChIKey of 7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is ZNJVKZYOJBTRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O6/c1-28-18-11-14(13-27-20(18)21(31)19(24(28)34)22(32)26-4-7-30)10-15-2-3-16(25)12-17(15)23(33)29-5-8-35-9-6-29/h2-3,11-13,30-31H,4-10H2,1H3,(H,26,32).
What are the key properties of 7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-fluoro-2-(morpholine-4-carbonyl)phenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54679159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).