4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one

C14H8ClN3O3 — CID 15665361

IUPAC4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one
SMILESO=c1c([N+](=O)[O-])c(Cl)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C14H8ClN3O3/c15-11-10-7-4-8-16-13(10)17(9-5-2-1-3-6-9)14(19)12(11)18(20)21/h1-8H
InChIKeyOAKPOJQCLMKHNB-UHFFFAOYSA-N
MW301.69 g/mol
LogP2.95
Rot. Bonds2

About 4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one

4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one (PubChem CID 15665361) has the molecular formula C14H8ClN3O3 and a molecular weight of 301.69 g/mol. Its IUPAC name is 4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one
PubChem CID15665361
Molecular FormulaC14H8ClN3O3
Molecular Weight301.69 g/mol
Exact Mass301.03
IUPAC Name4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one
SMILESO=c1c([N+](=O)[O-])c(Cl)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C14H8ClN3O3/c15-11-10-7-4-8-16-13(10)17(9-5-2-1-3-6-9)14(19)12(11)18(20)21/h1-8H
InChIKeyOAKPOJQCLMKHNB-UHFFFAOYSA-N
XLogP2.95
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one?
The IUPAC name of 4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one (CID 15665361) is 4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one?
The canonical SMILES for 4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one is O=c1c([N+](=O)[O-])c(Cl)c2cccnc2n1-c1ccccc1.
What is the InChIKey of 4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one?
The InChIKey is OAKPOJQCLMKHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O3/c15-11-10-7-4-8-16-13(10)17(9-5-2-1-3-6-9)14(19)12(11)18(20)21/h1-8H.
What are the key properties of 4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one?
4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one has a molecular weight of 301.69 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 15665361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).