7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione

C14H9Cl2N3O2 — CID 2784455

IUPAC7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione
SMILESNc1nc2c(cc1Cl)C(=O)C(Cl)(c1ccccc1)C(=O)N2
InChIInChI=1S/C14H9Cl2N3O2/c15-9-6-8-10(20)14(16,7-4-2-1-3-5-7)13(21)19-12(8)18-11(9)17/h1-6H,(H3,17,18,19,21)
InChIKeySLHMOAKBHHBMPK-UHFFFAOYSA-N
MW322.15 g/mol
LogP2.59
Rot. Bonds1

About 7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione

7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione (PubChem CID 2784455) has the molecular formula C14H9Cl2N3O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione.

Molecular Properties

Compound Name7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione
PubChem CID2784455
Molecular FormulaC14H9Cl2N3O2
Molecular Weight322.15 g/mol
Exact Mass321.01
IUPAC Name7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione
SMILESNc1nc2c(cc1Cl)C(=O)C(Cl)(c1ccccc1)C(=O)N2
InChIInChI=1S/C14H9Cl2N3O2/c15-9-6-8-10(20)14(16,7-4-2-1-3-5-7)13(21)19-12(8)18-11(9)17/h1-6H,(H3,17,18,19,21)
InChIKeySLHMOAKBHHBMPK-UHFFFAOYSA-N
XLogP2.59
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione?
The IUPAC name of 7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione (CID 2784455) is 7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione.
What is the SMILES notation for 7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione?
The canonical SMILES for 7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione is Nc1nc2c(cc1Cl)C(=O)C(Cl)(c1ccccc1)C(=O)N2.
What is the InChIKey of 7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione?
The InChIKey is SLHMOAKBHHBMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2/c15-9-6-8-10(20)14(16,7-4-2-1-3-5-7)13(21)19-12(8)18-11(9)17/h1-6H,(H3,17,18,19,21).
What are the key properties of 7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione?
7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione has a molecular weight of 322.15 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione is sourced from PubChem (CID 2784455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).