(4Z)-4-[4-(2,4-difluorophenyl)-7-hydroxy-1,7-naphthyridin-8-ylidene]-3-methylcyclohexa-2,5-dien-1-one

C21H14F2N2O2 — CID 57399817

IUPAC(4Z)-4-[4-(2,4-difluorophenyl)-7-hydroxy-1,7-naphthyridin-8-ylidene]-3-methylcyclohexa-2,5-dien-1-one
SMILESCC1=CC(=O)C=C/C1=C1\c2nccc(-c3ccc(F)cc3F)c2C=CN1O
InChIInChI=1S/C21H14F2N2O2/c1-12-10-14(26)3-5-15(12)21-20-18(7-9-25(21)27)16(6-8-24-20)17-4-2-13(22)11-19(17)23/h2-11,27H,1H3/b21-15-
InChIKeyLHCHJDQZAMIGOX-QNGOZBTKSA-N
MW364.35 g/mol
LogP4.50
Rot. Bonds1

About (4Z)-4-[4-(2,4-difluorophenyl)-7-hydroxy-1,7-naphthyridin-8-ylidene]-3-methylcyclohexa-2,5-dien-1-one

(4Z)-4-[4-(2,4-difluorophenyl)-7-hydroxy-1,7-naphthyridin-8-ylidene]-3-methylcyclohexa-2,5-dien-1-one (PubChem CID 57399817) has the molecular formula C21H14F2N2O2 and a molecular weight of 364.35 g/mol. Its IUPAC name is (4Z)-4-[4-(2,4-difluorophenyl)-7-hydroxy-1,7-naphthyridin-8-ylidene]-3-methylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4Z)-4-[4-(2,4-difluorophenyl)-7-hydroxy-1,7-naphthyridin-8-ylidene]-3-methylcyclohexa-2,5-dien-1-one
PubChem CID57399817
Molecular FormulaC21H14F2N2O2
Molecular Weight364.35 g/mol
Exact Mass364.10
IUPAC Name(4Z)-4-[4-(2,4-difluorophenyl)-7-hydroxy-1,7-naphthyridin-8-ylidene]-3-methylcyclohexa-2,5-dien-1-one
SMILESCC1=CC(=O)C=C/C1=C1\c2nccc(-c3ccc(F)cc3F)c2C=CN1O
InChIInChI=1S/C21H14F2N2O2/c1-12-10-14(26)3-5-15(12)21-20-18(7-9-25(21)27)16(6-8-24-20)17-4-2-13(22)11-19(17)23/h2-11,27H,1H3/b21-15-
InChIKeyLHCHJDQZAMIGOX-QNGOZBTKSA-N
XLogP4.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[4-(2,4-difluorophenyl)-7-hydroxy-1,7-naphthyridin-8-ylidene]-3-methylcyclohexa-2,5-dien-1-one?
The IUPAC name of (4Z)-4-[4-(2,4-difluorophenyl)-7-hydroxy-1,7-naphthyridin-8-ylidene]-3-methylcyclohexa-2,5-dien-1-one (CID 57399817) is (4Z)-4-[4-(2,4-difluorophenyl)-7-hydroxy-1,7-naphthyridin-8-ylidene]-3-methylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4Z)-4-[4-(2,4-difluorophenyl)-7-hydroxy-1,7-naphthyridin-8-ylidene]-3-methylcyclohexa-2,5-dien-1-one?
The canonical SMILES for (4Z)-4-[4-(2,4-difluorophenyl)-7-hydroxy-1,7-naphthyridin-8-ylidene]-3-methylcyclohexa-2,5-dien-1-one is CC1=CC(=O)C=C/C1=C1\c2nccc(-c3ccc(F)cc3F)c2C=CN1O.
What is the InChIKey of (4Z)-4-[4-(2,4-difluorophenyl)-7-hydroxy-1,7-naphthyridin-8-ylidene]-3-methylcyclohexa-2,5-dien-1-one?
The InChIKey is LHCHJDQZAMIGOX-QNGOZBTKSA-N. The full InChI is InChI=1S/C21H14F2N2O2/c1-12-10-14(26)3-5-15(12)21-20-18(7-9-25(21)27)16(6-8-24-20)17-4-2-13(22)11-19(17)23/h2-11,27H,1H3/b21-15-.
What are the key properties of (4Z)-4-[4-(2,4-difluorophenyl)-7-hydroxy-1,7-naphthyridin-8-ylidene]-3-methylcyclohexa-2,5-dien-1-one?
(4Z)-4-[4-(2,4-difluorophenyl)-7-hydroxy-1,7-naphthyridin-8-ylidene]-3-methylcyclohexa-2,5-dien-1-one has a molecular weight of 364.35 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[4-(2,4-difluorophenyl)-7-hydroxy-1,7-naphthyridin-8-ylidene]-3-methylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 57399817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).