2-anilino-1-[(2Z,4Z)-hexa-2,4-dienyl]-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethene

C26H28F3N3O2 — CID 142224658

IUPAC2-anilino-1-[(2Z,4Z)-hexa-2,4-dienyl]-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethene
SMILESC/C=C\C=C/Cn1c(Nc2ccccc2)cc(=O)c2c(C(F)(F)F)cc(OC(C)C)nc21.C=C
InChIInChI=1S/C24H24F3N3O2.C2H4/c1-4-5-6-10-13-30-20(28-17-11-8-7-9-12-17)15-19(31)22-18(24(25,26)27)14-21(29-23(22)30)32-16(2)3;1-2/h4-12,14-16,28H,13H2,1-3H3;1-2H2/b5-4-,10-6-;
InChIKeyBCXUVRFUNVIJAJ-ICHDRJDBSA-N
MW471.52 g/mol
LogP6.88
Rot. Bonds7

About 2-anilino-1-[(2Z,4Z)-hexa-2,4-dienyl]-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethene

2-anilino-1-[(2Z,4Z)-hexa-2,4-dienyl]-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethene (PubChem CID 142224658) has the molecular formula C26H28F3N3O2 and a molecular weight of 471.52 g/mol. Its IUPAC name is 2-anilino-1-[(2Z,4Z)-hexa-2,4-dienyl]-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethene.

Molecular Properties

Compound Name2-anilino-1-[(2Z,4Z)-hexa-2,4-dienyl]-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethene
PubChem CID142224658
Molecular FormulaC26H28F3N3O2
Molecular Weight471.52 g/mol
Exact Mass471.21
IUPAC Name2-anilino-1-[(2Z,4Z)-hexa-2,4-dienyl]-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethene
SMILESC/C=C\C=C/Cn1c(Nc2ccccc2)cc(=O)c2c(C(F)(F)F)cc(OC(C)C)nc21.C=C
InChIInChI=1S/C24H24F3N3O2.C2H4/c1-4-5-6-10-13-30-20(28-17-11-8-7-9-12-17)15-19(31)22-18(24(25,26)27)14-21(29-23(22)30)32-16(2)3;1-2/h4-12,14-16,28H,13H2,1-3H3;1-2H2/b5-4-,10-6-;
InChIKeyBCXUVRFUNVIJAJ-ICHDRJDBSA-N
XLogP6.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

7-Methoxy-2-phenyl-1,8-naphthyridin-4-ol
CID 10264202
7-Phenoxy-2-phenyl-1,8-naphthyridin-4-ol
CID 10663067
7-Ethoxy-2-phenyl-1,8-naphthyridin-4-ol
CID 10706862
7-Ethoxy-1-ethyl-2-phenyl-1H-[1,8]naphthyridin-4-one
CID 11266371
1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 24873535
methyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate
CID 71523742
2-(4-Methoxy-phenyl)-5-methyl-1H-[1,8]naphthyridin-4-one
CID 384642
3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one
CID 70685786
2-(4-methoxyphenyl)-3-methyl-1H-1,8-naphthyridin-4-one
CID 70694150
3-methyl-2-(4-tetrahydropyran-4-yloxyphenyl)-1H-1,8-naphthyridin-4-one
CID 70694169
2-(4-Methoxy-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468703
4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide
CID 10381909

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-[(2Z,4Z)-hexa-2,4-dienyl]-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethene?
The IUPAC name of 2-anilino-1-[(2Z,4Z)-hexa-2,4-dienyl]-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethene (CID 142224658) is 2-anilino-1-[(2Z,4Z)-hexa-2,4-dienyl]-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethene.
What is the SMILES notation for 2-anilino-1-[(2Z,4Z)-hexa-2,4-dienyl]-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethene?
The canonical SMILES for 2-anilino-1-[(2Z,4Z)-hexa-2,4-dienyl]-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethene is C/C=C\C=C/Cn1c(Nc2ccccc2)cc(=O)c2c(C(F)(F)F)cc(OC(C)C)nc21.C=C.
What is the InChIKey of 2-anilino-1-[(2Z,4Z)-hexa-2,4-dienyl]-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethene?
The InChIKey is BCXUVRFUNVIJAJ-ICHDRJDBSA-N. The full InChI is InChI=1S/C24H24F3N3O2.C2H4/c1-4-5-6-10-13-30-20(28-17-11-8-7-9-12-17)15-19(31)22-18(24(25,26)27)14-21(29-23(22)30)32-16(2)3;1-2/h4-12,14-16,28H,13H2,1-3H3;1-2H2/b5-4-,10-6-;.
What are the key properties of 2-anilino-1-[(2Z,4Z)-hexa-2,4-dienyl]-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethene?
2-anilino-1-[(2Z,4Z)-hexa-2,4-dienyl]-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethene has a molecular weight of 471.52 g/mol, XLogP of 6.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-[(2Z,4Z)-hexa-2,4-dienyl]-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;ethene is sourced from PubChem (CID 142224658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).