8-(4-acetyl-2-fluoroanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione

C19H20FN3O5 — CID 165386419

IUPAC8-(4-acetyl-2-fluoroanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione
SMILESCC(=O)c1ccc(Nc2c3c(cc(=O)n2C)CCN(OCCO)C3=O)c(F)c1
InChIInChI=1S/C19H20FN3O5/c1-11(25)12-3-4-15(14(20)9-12)21-18-17-13(10-16(26)22(18)2)5-6-23(19(17)27)28-8-7-24/h3-4,9-10,21,24H,5-8H2,1-2H3
InChIKeyUFXRFZIHGYNAMO-UHFFFAOYSA-N
MW389.38 g/mol
LogP1.39
Rot. Bonds6

About 8-(4-acetyl-2-fluoroanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione

8-(4-acetyl-2-fluoroanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione (PubChem CID 165386419) has the molecular formula C19H20FN3O5 and a molecular weight of 389.38 g/mol. Its IUPAC name is 8-(4-acetyl-2-fluoroanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione.

Molecular Properties

Compound Name8-(4-acetyl-2-fluoroanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione
PubChem CID165386419
Molecular FormulaC19H20FN3O5
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name8-(4-acetyl-2-fluoroanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione
SMILESCC(=O)c1ccc(Nc2c3c(cc(=O)n2C)CCN(OCCO)C3=O)c(F)c1
InChIInChI=1S/C19H20FN3O5/c1-11(25)12-3-4-15(14(20)9-12)21-18-17-13(10-16(26)22(18)2)5-6-23(19(17)27)28-8-7-24/h3-4,9-10,21,24H,5-8H2,1-2H3
InChIKeyUFXRFZIHGYNAMO-UHFFFAOYSA-N
XLogP1.39
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-acetyl-2-fluoroanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione?
The IUPAC name of 8-(4-acetyl-2-fluoroanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione (CID 165386419) is 8-(4-acetyl-2-fluoroanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione.
What is the SMILES notation for 8-(4-acetyl-2-fluoroanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione?
The canonical SMILES for 8-(4-acetyl-2-fluoroanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione is CC(=O)c1ccc(Nc2c3c(cc(=O)n2C)CCN(OCCO)C3=O)c(F)c1.
What is the InChIKey of 8-(4-acetyl-2-fluoroanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione?
The InChIKey is UFXRFZIHGYNAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O5/c1-11(25)12-3-4-15(14(20)9-12)21-18-17-13(10-16(26)22(18)2)5-6-23(19(17)27)28-8-7-24/h3-4,9-10,21,24H,5-8H2,1-2H3.
What are the key properties of 8-(4-acetyl-2-fluoroanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione?
8-(4-acetyl-2-fluoroanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione has a molecular weight of 389.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-acetyl-2-fluoroanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione is sourced from PubChem (CID 165386419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).