5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde

C19H13N3O3 — CID 87192134

IUPAC5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cnc(Nc3ccccc3)c3c(=O)[nH]ccc23)o1
InChIInChI=1S/C19H13N3O3/c23-11-13-6-7-16(25-13)15-10-21-18(22-12-4-2-1-3-5-12)17-14(15)8-9-20-19(17)24/h1-11H,(H,20,24)(H,21,22)
InChIKeyXHVCARSMZZIWRQ-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.74
Rot. Bonds4

About 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde

5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde (PubChem CID 87192134) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde
PubChem CID87192134
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cnc(Nc3ccccc3)c3c(=O)[nH]ccc23)o1
InChIInChI=1S/C19H13N3O3/c23-11-13-6-7-16(25-13)15-10-21-18(22-12-4-2-1-3-5-12)17-14(15)8-9-20-19(17)24/h1-11H,(H,20,24)(H,21,22)
InChIKeyXHVCARSMZZIWRQ-UHFFFAOYSA-N
XLogP3.74
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.74
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-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one
CID 66887497
5-[4-(aminomethyl)phenyl]-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094662
5-[4-[4-(benzenesulfonyl)anilino]-7-methoxyquinazolin-6-yl]furan-2-carbaldehyde;hydrochloride
CID 87510001
5-(6-methoxy-1H-indol-4-yl)furan-2-carbaldehyde
CID 169333714
5-(4-methylnaphthalen-1-yl)furan-2-carbaldehyde
CID 106888456
6-chloro-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carbaldehyde
CID 157169301
2-N-methyl-3-[2-(trifluoromethyl)phenyl]propane-1,2-diamine;5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carbaldehyde
CID 143499337
8-anilino-5-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612331
3-anilino-1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135439535
5-[4-[(1-benzylindazol-5-yl)amino]quinazolin-6-yl]furan-2-carbaldehyde;hydrochloride
CID 86758083
5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carbaldehyde
CID 169332653
5-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]phenyl]furan-2-carbaldehyde
CID 169333603

Frequently Asked Questions

What is the IUPAC name of 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde (CID 87192134) is 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde is O=Cc1ccc(-c2cnc(Nc3ccccc3)c3c(=O)[nH]ccc23)o1.
What is the InChIKey of 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde?
The InChIKey is XHVCARSMZZIWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c23-11-13-6-7-16(25-13)15-10-21-18(22-12-4-2-1-3-5-12)17-14(15)8-9-20-19(17)24/h1-11H,(H,20,24)(H,21,22).
What are the key properties of 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde?
5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde has a molecular weight of 331.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde is sourced from PubChem (CID 87192134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).