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

C23H20FN3O2 — CID 142224562

IUPAC6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-7-propanoyl-1,8-naphthyridin-4-one
SMILESC=C/C=C(\C=C)Nc1cc(=O)c2cc(F)c(C(=O)CC)nc2n1-c1ccccc1
InChIInChI=1S/C23H20FN3O2/c1-4-10-15(5-2)25-21-14-20(29)17-13-18(24)22(19(28)6-3)26-23(17)27(21)16-11-8-7-9-12-16/h4-5,7-14,25H,1-2,6H2,3H3/b15-10+
InChIKeyWSZITFDLXQELGZ-XNTDXEJSSA-N
MW389.43 g/mol
LogP4.79
Rot. Bonds7

About 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-7-propanoyl-1,8-naphthyridin-4-one

6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-7-propanoyl-1,8-naphthyridin-4-one (PubChem CID 142224562) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-7-propanoyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-7-propanoyl-1,8-naphthyridin-4-one
PubChem CID142224562
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-7-propanoyl-1,8-naphthyridin-4-one
SMILESC=C/C=C(\C=C)Nc1cc(=O)c2cc(F)c(C(=O)CC)nc2n1-c1ccccc1
InChIInChI=1S/C23H20FN3O2/c1-4-10-15(5-2)25-21-14-20(29)17-13-18(24)22(19(28)6-3)26-23(17)27(21)16-11-8-7-9-12-16/h4-5,7-14,25H,1-2,6H2,3H3/b15-10+
InChIKeyWSZITFDLXQELGZ-XNTDXEJSSA-N
XLogP4.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-5-propyl-1,8-naphthyridin-4-one
CID 142224993
2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-7-thiophen-3-yl-1,8-naphthyridin-4-one;molecular hydrogen
CID 142225420
7-(4-fluorobenzoyl)-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one
CID 142224840
2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-N-methoxy-N-methyl-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide
CID 142224811
ethyl 3-fluoro-7-(3-fluoroanilino)-8-(3-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxylate
CID 20791165
2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-7-thiophen-2-yl-1,6-naphthyridin-4-one
CID 142225584
3-fluoro-7-(4-fluoroanilino)-8-(4-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxamide
CID 20791006
acetylene;7-(1-hydroxypropyl)-5-methyl-2-[[(2E)-penta-2,4-dien-2-yl]amino]-1-phenyl-1,8-naphthyridin-4-one
CID 142225683
2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate
CID 174461645
benzene;N,N-dimethyl-2-[[7-(methylamino)-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide;ethane;2-[[8-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-5-oxo-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-phenylacetamide
CID 142224743
2-anilino-6-fluoro-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one
CID 10295380
2-[(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)amino]acetamide
CID 20790439

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-7-propanoyl-1,8-naphthyridin-4-one?
The IUPAC name of 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-7-propanoyl-1,8-naphthyridin-4-one (CID 142224562) is 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-7-propanoyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-7-propanoyl-1,8-naphthyridin-4-one?
The canonical SMILES for 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-7-propanoyl-1,8-naphthyridin-4-one is C=C/C=C(\C=C)Nc1cc(=O)c2cc(F)c(C(=O)CC)nc2n1-c1ccccc1.
What is the InChIKey of 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-7-propanoyl-1,8-naphthyridin-4-one?
The InChIKey is WSZITFDLXQELGZ-XNTDXEJSSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-4-10-15(5-2)25-21-14-20(29)17-13-18(24)22(19(28)6-3)26-23(17)27(21)16-11-8-7-9-12-16/h4-5,7-14,25H,1-2,6H2,3H3/b15-10+.
What are the key properties of 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-7-propanoyl-1,8-naphthyridin-4-one?
6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-7-propanoyl-1,8-naphthyridin-4-one has a molecular weight of 389.43 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-7-propanoyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 142224562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).