2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid

C25H24F3N3O4 — CID 142224612

IUPAC2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid
SMILESCCCOc1cc(C(F)(F)F)c2c(=O)cc(NC3=CCCC=C3)n(-c3ccccc3)c2n1.O=CO
InChIInChI=1S/C24H22F3N3O2.CH2O2/c1-2-13-32-21-14-18(24(25,26)27)22-19(31)15-20(28-16-9-5-3-6-10-16)30(23(22)29-21)17-11-7-4-8-12-17;2-1-3/h4-5,7-12,14-15,28H,2-3,6,13H2,1H3;1H,(H,2,3)
InChIKeyZIBBSGRXHYRXNS-UHFFFAOYSA-N
MW487.48 g/mol
LogP5.54
Rot. Bonds6

About 2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid

2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid (PubChem CID 142224612) has the molecular formula C25H24F3N3O4 and a molecular weight of 487.48 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid
PubChem CID142224612
Molecular FormulaC25H24F3N3O4
Molecular Weight487.48 g/mol
Exact Mass487.17
IUPAC Name2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid
SMILESCCCOc1cc(C(F)(F)F)c2c(=O)cc(NC3=CCCC=C3)n(-c3ccccc3)c2n1.O=CO
InChIInChI=1S/C24H22F3N3O2.CH2O2/c1-2-13-32-21-14-18(24(25,26)27)22-19(31)15-20(28-16-9-5-3-6-10-16)30(23(22)29-21)17-11-7-4-8-12-17;2-1-3/h4-5,7-12,14-15,28H,2-3,6,13H2,1H3;1H,(H,2,3)
InChIKeyZIBBSGRXHYRXNS-UHFFFAOYSA-N
XLogP5.54
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.48
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid (CID 142224612) is 2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid is CCCOc1cc(C(F)(F)F)c2c(=O)cc(NC3=CCCC=C3)n(-c3ccccc3)c2n1.O=CO.
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid?
The InChIKey is ZIBBSGRXHYRXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2.CH2O2/c1-2-13-32-21-14-18(24(25,26)27)22-19(31)15-20(28-16-9-5-3-6-10-16)30(23(22)29-21)17-11-7-4-8-12-17;2-1-3/h4-5,7-12,14-15,28H,2-3,6,13H2,1H3;1H,(H,2,3).
What are the key properties of 2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid?
2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid has a molecular weight of 487.48 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid is sourced from PubChem (CID 142224612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).