8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C22H19N3O2 — CID 175267077

IUPAC8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCOc1cccc(-c2cnc(Nc3ccccc3)c3c2C=CNC3C=O)c1
InChIInChI=1S/C22H19N3O2/c1-27-17-9-5-6-15(12-17)19-13-24-22(25-16-7-3-2-4-8-16)21-18(19)10-11-23-20(21)14-26/h2-14,20,23H,1H3,(H,24,25)
InChIKeyFBEFEYPSTGERTH-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.31
Rot. Bonds5

About 8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 175267077) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID175267077
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCOc1cccc(-c2cnc(Nc3ccccc3)c3c2C=CNC3C=O)c1
InChIInChI=1S/C22H19N3O2/c1-27-17-9-5-6-15(12-17)19-13-24-22(25-16-7-3-2-4-8-16)21-18(19)10-11-23-20(21)14-26/h2-14,20,23H,1H3,(H,24,25)
InChIKeyFBEFEYPSTGERTH-UHFFFAOYSA-N
XLogP4.31
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612068
N-(3-methoxyphenyl)-4-phenyl-2,3-dihydrofuro[2,3-c]pyridin-7-amine
CID 134805004
ethane;6-(3-methoxyphenyl)-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 143080945
8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626666
2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645510
2-(3-methoxyphenyl)-3,5-diphenylpyridine
CID 57041799
6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626567
8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626645
2-[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]-3-phenyl-5,6-dihydro-1,6-naphthyridine-5-carbaldehyde
CID 174504569
6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269497
6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626784

Frequently Asked Questions

What is the IUPAC name of 8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 175267077) is 8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is COc1cccc(-c2cnc(Nc3ccccc3)c3c2C=CNC3C=O)c1.
What is the InChIKey of 8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is FBEFEYPSTGERTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-27-17-9-5-6-15(12-17)19-13-24-22(25-16-7-3-2-4-8-16)21-18(19)10-11-23-20(21)14-26/h2-14,20,23H,1H3,(H,24,25).
What are the key properties of 8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 357.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-5-(3-methoxyphenyl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 175267077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).