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

C24H22FN3O — CID 174612142

IUPAC8-(4-fluoroanilino)-5-(3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESO=CC1NC=Cc2c(CCCc3ccccc3)cnc(Nc3ccc(F)cc3)c21
InChIInChI=1S/C24H22FN3O/c25-19-9-11-20(12-10-19)28-24-23-21(13-14-26-22(23)16-29)18(15-27-24)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-16,22,26H,4,7-8H2,(H,27,28)
InChIKeyBEZIIGXMIDCWLI-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.95
Rot. Bonds7

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

8-(4-fluoroanilino)-5-(3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 174612142) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is 8-(4-fluoroanilino)-5-(3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name8-(4-fluoroanilino)-5-(3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID174612142
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name8-(4-fluoroanilino)-5-(3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESO=CC1NC=Cc2c(CCCc3ccccc3)cnc(Nc3ccc(F)cc3)c21
InChIInChI=1S/C24H22FN3O/c25-19-9-11-20(12-10-19)28-24-23-21(13-14-26-22(23)16-29)18(15-27-24)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-16,22,26H,4,7-8H2,(H,27,28)
InChIKeyBEZIIGXMIDCWLI-UHFFFAOYSA-N
XLogP4.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(4-fluoroanilino)-5-(3-hydroxy-3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626644
5-(4-fluoroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287008
8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626666
6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626825
5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191792
N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide
CID 103789587
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one
CID 87054701
N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine;oxalic acid
CID 17078916
2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine
CID 18186489
N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194940
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoroanilino)-5-(3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 8-(4-fluoroanilino)-5-(3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 174612142) is 8-(4-fluoroanilino)-5-(3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 8-(4-fluoroanilino)-5-(3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 8-(4-fluoroanilino)-5-(3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is O=CC1NC=Cc2c(CCCc3ccccc3)cnc(Nc3ccc(F)cc3)c21.
What is the InChIKey of 8-(4-fluoroanilino)-5-(3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is BEZIIGXMIDCWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c25-19-9-11-20(12-10-19)28-24-23-21(13-14-26-22(23)16-29)18(15-27-24)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-16,22,26H,4,7-8H2,(H,27,28).
What are the key properties of 8-(4-fluoroanilino)-5-(3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
8-(4-fluoroanilino)-5-(3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 387.46 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoroanilino)-5-(3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 174612142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).