5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde;8-anilino-5-pyridin-3-yl-2H-2,7-naphthyridin-1-one

C38H27N7O4 — CID 87192133

IUPAC5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde;8-anilino-5-pyridin-3-yl-2H-2,7-naphthyridin-1-one
SMILESO=Cc1ccc(-c2cnc(Nc3ccccc3)c3c(=O)[nH]ccc23)o1.O=c1[nH]ccc2c(-c3cccnc3)cnc(Nc3ccccc3)c12
InChIInChI=1S/C19H14N4O.C19H13N3O3/c24-19-17-15(8-10-21-19)16(13-5-4-9-20-11-13)12-22-18(17)23-14-6-2-1-3-7-14;23-11-13-6-7-16(25-13)15-10-21-18(22-12-4-2-1-3-5-12)17-14(15)8-9-20-19(17)24/h1-12H,(H,21,24)(H,22,23);1-11H,(H,20,24)(H,21,22)
InChIKeyNOWYNWAYDODLQC-UHFFFAOYSA-N
MW645.68 g/mol
LogP7.47
Rot. Bonds7

About 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde;8-anilino-5-pyridin-3-yl-2H-2,7-naphthyridin-1-one

5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde;8-anilino-5-pyridin-3-yl-2H-2,7-naphthyridin-1-one (PubChem CID 87192133) has the molecular formula C38H27N7O4 and a molecular weight of 645.68 g/mol. Its IUPAC name is 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde;8-anilino-5-pyridin-3-yl-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde;8-anilino-5-pyridin-3-yl-2H-2,7-naphthyridin-1-one
PubChem CID87192133
Molecular FormulaC38H27N7O4
Molecular Weight645.68 g/mol
Exact Mass645.21
IUPAC Name5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde;8-anilino-5-pyridin-3-yl-2H-2,7-naphthyridin-1-one
SMILESO=Cc1ccc(-c2cnc(Nc3ccccc3)c3c(=O)[nH]ccc23)o1.O=c1[nH]ccc2c(-c3cccnc3)cnc(Nc3ccccc3)c12
InChIInChI=1S/C19H14N4O.C19H13N3O3/c24-19-17-15(8-10-21-19)16(13-5-4-9-20-11-13)12-22-18(17)23-14-6-2-1-3-7-14;23-11-13-6-7-16(25-13)15-10-21-18(22-12-4-2-1-3-5-12)17-14(15)8-9-20-19(17)24/h1-12H,(H,21,24)(H,22,23);1-11H,(H,20,24)(H,21,22)
InChIKeyNOWYNWAYDODLQC-UHFFFAOYSA-N
XLogP7.47
TPSA158.66 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.68
LogP ≤ 57.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde;8-anilino-5-pyridin-3-yl-2H-2,7-naphthyridin-1-one?
The IUPAC name of 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde;8-anilino-5-pyridin-3-yl-2H-2,7-naphthyridin-1-one (CID 87192133) is 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde;8-anilino-5-pyridin-3-yl-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde;8-anilino-5-pyridin-3-yl-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde;8-anilino-5-pyridin-3-yl-2H-2,7-naphthyridin-1-one is O=Cc1ccc(-c2cnc(Nc3ccccc3)c3c(=O)[nH]ccc23)o1.O=c1[nH]ccc2c(-c3cccnc3)cnc(Nc3ccccc3)c12.
What is the InChIKey of 5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde;8-anilino-5-pyridin-3-yl-2H-2,7-naphthyridin-1-one?
The InChIKey is NOWYNWAYDODLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O.C19H13N3O3/c24-19-17-15(8-10-21-19)16(13-5-4-9-20-11-13)12-22-18(17)23-14-6-2-1-3-7-14;23-11-13-6-7-16(25-13)15-10-21-18(22-12-4-2-1-3-5-12)17-14(15)8-9-20-19(17)24/h1-12H,(H,21,24)(H,22,23);1-11H,(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;8-anilino-5-pyridin-3-yl-2H-2,7-naphthyridin-1-one?
5-(1-anilino-8-oxo-7H-2,7-naphthyridin-4-yl)furan-2-carbaldehyde;8-anilino-5-pyridin-3-yl-2H-2,7-naphthyridin-1-one has a molecular weight of 645.68 g/mol, XLogP of 7.47, 7 rotatable bonds, 4 hydrogen bond donors, and 9 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;8-anilino-5-pyridin-3-yl-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 87192133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).