6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C25H23FN4O2 — CID 174626825

IUPAC6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESO=CC1NC=Cc2cc(-c3ccc(F)cc3)nc(Nc3ccc(N4CCOCC4)cc3)c21
InChIInChI=1S/C25H23FN4O2/c26-19-3-1-17(2-4-19)22-15-18-9-10-27-23(16-31)24(18)25(29-22)28-20-5-7-21(8-6-20)30-11-13-32-14-12-30/h1-10,15-16,23,27H,11-14H2,(H,28,29)
InChIKeyGYAMBXGMIKTMRJ-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.28
Rot. Bonds5

About 6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 174626825) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID174626825
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESO=CC1NC=Cc2cc(-c3ccc(F)cc3)nc(Nc3ccc(N4CCOCC4)cc3)c21
InChIInChI=1S/C25H23FN4O2/c26-19-3-1-17(2-4-19)22-15-18-9-10-27-23(16-31)24(18)25(29-22)28-20-5-7-21(8-6-20)30-11-13-32-14-12-30/h1-10,15-16,23,27H,11-14H2,(H,28,29)
InChIKeyGYAMBXGMIKTMRJ-UHFFFAOYSA-N
XLogP4.28
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 174626825) is 6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is O=CC1NC=Cc2cc(-c3ccc(F)cc3)nc(Nc3ccc(N4CCOCC4)cc3)c21.
What is the InChIKey of 6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is GYAMBXGMIKTMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c26-19-3-1-17(2-4-19)22-15-18-9-10-27-23(16-31)24(18)25(29-22)28-20-5-7-21(8-6-20)30-11-13-32-14-12-30/h1-10,15-16,23,27H,11-14H2,(H,28,29).
What are the key properties of 6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 430.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 174626825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).