8-anilino-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C22H16F3N3O — CID 174626568

IUPAC8-anilino-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESO=CC1NC=Cc2c(-c3cccc(C(F)(F)F)c3)cnc(Nc3ccccc3)c21
InChIInChI=1S/C22H16F3N3O/c23-22(24,25)15-6-4-5-14(11-15)18-12-27-21(28-16-7-2-1-3-8-16)20-17(18)9-10-26-19(20)13-29/h1-13,19,26H,(H,27,28)
InChIKeyIGRGZJDFWWOUNA-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.32
Rot. Bonds4

About 8-anilino-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

8-anilino-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 174626568) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is 8-anilino-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name8-anilino-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID174626568
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name8-anilino-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESO=CC1NC=Cc2c(-c3cccc(C(F)(F)F)c3)cnc(Nc3ccccc3)c21
InChIInChI=1S/C22H16F3N3O/c23-22(24,25)15-6-4-5-14(11-15)18-12-27-21(28-16-7-2-1-3-8-16)20-17(18)9-10-26-19(20)13-29/h1-13,19,26H,(H,27,28)
InChIKeyIGRGZJDFWWOUNA-UHFFFAOYSA-N
XLogP5.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.32
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-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
6-pyridin-3-yl-8-[3-(trifluoromethyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269555
8-(4-fluoroanilino)-5-(3-phenylpropyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612142
2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
CID 133089606
8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626645
3-phenyl-2-[4-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]phenyl]-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde
CID 174518674
3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134621665
5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 103467380
3-phenyl-N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053132
5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289576
3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
CID 151250225

Frequently Asked Questions

What is the IUPAC name of 8-anilino-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 8-anilino-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 174626568) is 8-anilino-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 8-anilino-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 8-anilino-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is O=CC1NC=Cc2c(-c3cccc(C(F)(F)F)c3)cnc(Nc3ccccc3)c21.
What is the InChIKey of 8-anilino-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is IGRGZJDFWWOUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O/c23-22(24,25)15-6-4-5-14(11-15)18-12-27-21(28-16-7-2-1-3-8-16)20-17(18)9-10-26-19(20)13-29/h1-13,19,26H,(H,27,28).
What are the key properties of 8-anilino-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
8-anilino-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 395.38 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 174626568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).