8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C24H22FN3O2 — CID 174626644

IUPAC8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESO=CC1NC=Cc2c(CCC(O)c3ccccc3)cnc(Nc3ccc(F)cc3)c21
InChIInChI=1S/C24H22FN3O2/c25-18-7-9-19(10-8-18)28-24-23-20(12-13-26-21(23)15-29)17(14-27-24)6-11-22(30)16-4-2-1-3-5-16/h1-5,7-10,12-15,21-22,26,30H,6,11H2,(H,27,28)
InChIKeyCSNNQCVWIOGPQU-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.44
Rot. Bonds7

About 8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 174626644) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID174626644
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESO=CC1NC=Cc2c(CCC(O)c3ccccc3)cnc(Nc3ccc(F)cc3)c21
InChIInChI=1S/C24H22FN3O2/c25-18-7-9-19(10-8-18)28-24-23-20(12-13-26-21(23)15-29)17(14-27-24)6-11-22(30)16-4-2-1-3-5-16/h1-5,7-10,12-15,21-22,26,30H,6,11H2,(H,27,28)
InChIKeyCSNNQCVWIOGPQU-UHFFFAOYSA-N
XLogP4.44
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(4-fluoroanilino)-5-(3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612142
8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612331
8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175267077
3-(4-fluorophenyl)-1-pyridin-3-ylpropan-1-ol
CID 19775361
6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626825
3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol
CID 12951841
N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide
CID 2883346
1,4-bis(4-fluorophenyl)-2,3-diphenylbutane-1,4-dione
CID 70902431
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626645
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 55743984
(1R)-1,3-diphenylpropan-1-ol
CID 11845542

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 174626644) is 8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is O=CC1NC=Cc2c(CCC(O)c3ccccc3)cnc(Nc3ccc(F)cc3)c21.
What is the InChIKey of 8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is CSNNQCVWIOGPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c25-18-7-9-19(10-8-18)28-24-23-20(12-13-26-21(23)15-29)17(14-27-24)6-11-22(30)16-4-2-1-3-5-16/h1-5,7-10,12-15,21-22,26,30H,6,11H2,(H,27,28).
What are the key properties of 8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 403.46 g/mol, XLogP of 4.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 174626644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).