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

C23H22FN3O — CID 142224993

IUPAC6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-5-propyl-1,8-naphthyridin-4-one
SMILESC=C/C=C(\C=C)Nc1cc(=O)c2c(CCC)c(F)cnc2n1-c1ccccc1
InChIInChI=1S/C23H22FN3O/c1-4-10-16(6-3)26-21-14-20(28)22-18(11-5-2)19(24)15-25-23(22)27(21)17-12-8-7-9-13-17/h4,6-10,12-15,26H,1,3,5,11H2,2H3/b16-10+
InChIKeyJPZJFKTUYAJKDV-MHWRWJLKSA-N
MW375.45 g/mol
LogP5.15
Rot. Bonds7

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

6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-5-propyl-1,8-naphthyridin-4-one (PubChem CID 142224993) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-5-propyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-5-propyl-1,8-naphthyridin-4-one
PubChem CID142224993
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-5-propyl-1,8-naphthyridin-4-one
SMILESC=C/C=C(\C=C)Nc1cc(=O)c2c(CCC)c(F)cnc2n1-c1ccccc1
InChIInChI=1S/C23H22FN3O/c1-4-10-16(6-3)26-21-14-20(28)22-18(11-5-2)19(24)15-25-23(22)27(21)17-12-8-7-9-13-17/h4,6-10,12-15,26H,1,3,5,11H2,2H3/b16-10+
InChIKeyJPZJFKTUYAJKDV-MHWRWJLKSA-N
XLogP5.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-5-propyl-1,8-naphthyridin-4-one with MolForge

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Related Compounds

Azaperone
CID 15443
Src-820 R
CID 63120
7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 10378184
Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
[4-Amino-2-[4-(4-methylpiperazin-1-yl)phenylamino]pyrimidin-5-yl](3-fluorophenyl)methanone
CID 11975201
4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide
CID 118473558
n-Isopropyl-1-[3-(3-acetylphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 9932192
1-(4''-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid isopropylamide
CID 10113183
N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10645210
N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10764021
5-fluoro-N-hydroxy-6-(2-phenylpropan-2-ylamino)pyridine-3-carboxamide
CID 156240317
1,2-Diphenyl-2-(pyridin-2-ylamino)ethanone
CID 31559

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-5-propyl-1,8-naphthyridin-4-one?
The IUPAC name of 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-5-propyl-1,8-naphthyridin-4-one (CID 142224993) is 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-5-propyl-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-5-propyl-1,8-naphthyridin-4-one?
The canonical SMILES for 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-5-propyl-1,8-naphthyridin-4-one is C=C/C=C(\C=C)Nc1cc(=O)c2c(CCC)c(F)cnc2n1-c1ccccc1.
What is the InChIKey of 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-5-propyl-1,8-naphthyridin-4-one?
The InChIKey is JPZJFKTUYAJKDV-MHWRWJLKSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-4-10-16(6-3)26-21-14-20(28)22-18(11-5-2)19(24)15-25-23(22)27(21)17-12-8-7-9-13-17/h4,6-10,12-15,26H,1,3,5,11H2,2H3/b16-10+.
What are the key properties of 6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-5-propyl-1,8-naphthyridin-4-one?
6-fluoro-2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-1-phenyl-5-propyl-1,8-naphthyridin-4-one has a molecular weight of 375.45 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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-5-propyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 142224993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).