5-(2,2-difluoroethoxy)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one

C23H21F2N3O2 — CID 142224945

IUPAC5-(2,2-difluoroethoxy)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESC=C/C=C(\C=C)Nc1cc(=O)c2c(OCC(F)F)cc(C)nc2n1-c1ccccc1
InChIInChI=1S/C23H21F2N3O2/c1-4-9-16(5-2)27-21-13-18(29)22-19(30-14-20(24)25)12-15(3)26-23(22)28(21)17-10-7-6-8-11-17/h4-13,20,27H,1-2,14H2,3H3/b16-9+
InChIKeyPOTFDDFGRWZLTH-CXUHLZMHSA-N
MW409.44 g/mol
LogP5.01
Rot. Bonds8

About 5-(2,2-difluoroethoxy)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one

5-(2,2-difluoroethoxy)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one (PubChem CID 142224945) has the molecular formula C23H21F2N3O2 and a molecular weight of 409.44 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one
PubChem CID142224945
Molecular FormulaC23H21F2N3O2
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name5-(2,2-difluoroethoxy)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESC=C/C=C(\C=C)Nc1cc(=O)c2c(OCC(F)F)cc(C)nc2n1-c1ccccc1
InChIInChI=1S/C23H21F2N3O2/c1-4-9-16(5-2)27-21-13-18(29)22-19(30-14-20(24)25)12-15(3)26-23(22)28(21)17-10-7-6-8-11-17/h4-13,20,27H,1-2,14H2,3H3/b16-9+
InChIKeyPOTFDDFGRWZLTH-CXUHLZMHSA-N
XLogP5.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2,2-difluoroethoxy)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

3-Acyl-2,6-diaminopyridine deriv. 3f
CID 5330845
2-(3-methoxyphenyl)-7-methyl-1,8-naphthyridin-4(1H)-one
CID 5468698
2-(3-Methoxy-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468699
7-Ethoxy-2-phenyl-1,8-naphthyridin-4-ol
CID 10706862
2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide
CID 2729351
2-(2-Methoxy-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one
CID 5468700
2-(2-Methoxy-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468701
2-(4-Methoxy-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one
CID 5468702
2-(4-Methoxy-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468703
US20240228491, Example 31
CID 172056560
N-(4-ethoxyphenyl)-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 4075939
2-[(3-methoxyphenyl)methyl]-7-methyl-1H-1,8-naphthyridin-4-one
CID 397847

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The IUPAC name of 5-(2,2-difluoroethoxy)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one (CID 142224945) is 5-(2,2-difluoroethoxy)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The canonical SMILES for 5-(2,2-difluoroethoxy)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one is C=C/C=C(\C=C)Nc1cc(=O)c2c(OCC(F)F)cc(C)nc2n1-c1ccccc1.
What is the InChIKey of 5-(2,2-difluoroethoxy)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The InChIKey is POTFDDFGRWZLTH-CXUHLZMHSA-N. The full InChI is InChI=1S/C23H21F2N3O2/c1-4-9-16(5-2)27-21-13-18(29)22-19(30-14-20(24)25)12-15(3)26-23(22)28(21)17-10-7-6-8-11-17/h4-13,20,27H,1-2,14H2,3H3/b16-9+.
What are the key properties of 5-(2,2-difluoroethoxy)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
5-(2,2-difluoroethoxy)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one has a molecular weight of 409.44 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 142224945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).