(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl 2,2,2-trifluoroacetate

C24H18F3N3O3 — CID 23401418

IUPAC(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl 2,2,2-trifluoroacetate
SMILESCc1nc2c(cc1COC(=O)C(F)(F)F)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C24H18F3N3O3/c1-15-16(14-33-23(32)24(25,26)27)12-19-20(31)13-21(29-17-8-4-2-5-9-17)30(22(19)28-15)18-10-6-3-7-11-18/h2-13,29H,14H2,1H3
InChIKeyXCKNZHUWCLOJIX-UHFFFAOYSA-N
MW453.42 g/mol
LogP5.04
Rot. Bonds5

About (7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl 2,2,2-trifluoroacetate

(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl 2,2,2-trifluoroacetate (PubChem CID 23401418) has the molecular formula C24H18F3N3O3 and a molecular weight of 453.42 g/mol. Its IUPAC name is (7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl 2,2,2-trifluoroacetate
PubChem CID23401418
Molecular FormulaC24H18F3N3O3
Molecular Weight453.42 g/mol
Exact Mass453.13
IUPAC Name(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl 2,2,2-trifluoroacetate
SMILESCc1nc2c(cc1COC(=O)C(F)(F)F)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C24H18F3N3O3/c1-15-16(14-33-23(32)24(25,26)27)12-19-20(31)13-21(29-17-8-4-2-5-9-17)30(22(19)28-15)18-10-6-3-7-11-18/h2-13,29H,14H2,1H3
InChIKeyXCKNZHUWCLOJIX-UHFFFAOYSA-N
XLogP5.04
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.42
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl 2,2,2-trifluoroacetate with MolForge

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Related Compounds

Stk008107
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3-[(1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carbonyl)-amino]-benzoic acid methyl ester
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Diethyl 4,4'-[(6-methylpyrimidine-2,4-diyl)diimino]dibenzoate
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CID 3244970
ethyl 7-ethyl-7-methyl-2-[(phenylcarbamothioyl)amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl 2,2,2-trifluoroacetate?
The IUPAC name of (7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl 2,2,2-trifluoroacetate (CID 23401418) is (7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl 2,2,2-trifluoroacetate.
What is the SMILES notation for (7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl 2,2,2-trifluoroacetate?
The canonical SMILES for (7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl 2,2,2-trifluoroacetate is Cc1nc2c(cc1COC(=O)C(F)(F)F)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.
What is the InChIKey of (7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl 2,2,2-trifluoroacetate?
The InChIKey is XCKNZHUWCLOJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3/c1-15-16(14-33-23(32)24(25,26)27)12-19-20(31)13-21(29-17-8-4-2-5-9-17)30(22(19)28-15)18-10-6-3-7-11-18/h2-13,29H,14H2,1H3.
What are the key properties of (7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl 2,2,2-trifluoroacetate?
(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl 2,2,2-trifluoroacetate has a molecular weight of 453.42 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)methyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 23401418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).