2-anilino-7-(1,3-dihydroisoindol-2-ylmethyl)-5-(trifluoromethyl)-1H-1,8-naphthyridin-4-one

C24H19F3N4O — CID 146923246

IUPAC2-anilino-7-(1,3-dihydroisoindol-2-ylmethyl)-5-(trifluoromethyl)-1H-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)[nH]c2nc(CN3Cc4ccccc4C3)cc(C(F)(F)F)c12
InChIInChI=1S/C24H19F3N4O/c25-24(26,27)19-10-18(14-31-12-15-6-4-5-7-16(15)13-31)29-23-22(19)20(32)11-21(30-23)28-17-8-2-1-3-9-17/h1-11H,12-14H2,(H2,28,29,30,32)
InChIKeyADPCBSKHBFUTAK-UHFFFAOYSA-N
MW436.44 g/mol
LogP5.20
Rot. Bonds4

About 2-anilino-7-(1,3-dihydroisoindol-2-ylmethyl)-5-(trifluoromethyl)-1H-1,8-naphthyridin-4-one

2-anilino-7-(1,3-dihydroisoindol-2-ylmethyl)-5-(trifluoromethyl)-1H-1,8-naphthyridin-4-one (PubChem CID 146923246) has the molecular formula C24H19F3N4O and a molecular weight of 436.44 g/mol. Its IUPAC name is 2-anilino-7-(1,3-dihydroisoindol-2-ylmethyl)-5-(trifluoromethyl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-(1,3-dihydroisoindol-2-ylmethyl)-5-(trifluoromethyl)-1H-1,8-naphthyridin-4-one
PubChem CID146923246
Molecular FormulaC24H19F3N4O
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC Name2-anilino-7-(1,3-dihydroisoindol-2-ylmethyl)-5-(trifluoromethyl)-1H-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)[nH]c2nc(CN3Cc4ccccc4C3)cc(C(F)(F)F)c12
InChIInChI=1S/C24H19F3N4O/c25-24(26,27)19-10-18(14-31-12-15-6-4-5-7-16(15)13-31)29-23-22(19)20(32)11-21(30-23)28-17-8-2-1-3-9-17/h1-11H,12-14H2,(H2,28,29,30,32)
InChIKeyADPCBSKHBFUTAK-UHFFFAOYSA-N
XLogP5.20
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.44
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-(1,3-dihydroisoindol-2-ylmethyl)-5-(trifluoromethyl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-(1,3-dihydroisoindol-2-ylmethyl)-5-(trifluoromethyl)-1H-1,8-naphthyridin-4-one (CID 146923246) is 2-anilino-7-(1,3-dihydroisoindol-2-ylmethyl)-5-(trifluoromethyl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-(1,3-dihydroisoindol-2-ylmethyl)-5-(trifluoromethyl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-(1,3-dihydroisoindol-2-ylmethyl)-5-(trifluoromethyl)-1H-1,8-naphthyridin-4-one is O=c1cc(Nc2ccccc2)[nH]c2nc(CN3Cc4ccccc4C3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-7-(1,3-dihydroisoindol-2-ylmethyl)-5-(trifluoromethyl)-1H-1,8-naphthyridin-4-one?
The InChIKey is ADPCBSKHBFUTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O/c25-24(26,27)19-10-18(14-31-12-15-6-4-5-7-16(15)13-31)29-23-22(19)20(32)11-21(30-23)28-17-8-2-1-3-9-17/h1-11H,12-14H2,(H2,28,29,30,32).
What are the key properties of 2-anilino-7-(1,3-dihydroisoindol-2-ylmethyl)-5-(trifluoromethyl)-1H-1,8-naphthyridin-4-one?
2-anilino-7-(1,3-dihydroisoindol-2-ylmethyl)-5-(trifluoromethyl)-1H-1,8-naphthyridin-4-one has a molecular weight of 436.44 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-(1,3-dihydroisoindol-2-ylmethyl)-5-(trifluoromethyl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 146923246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).