5,8-dichloro-2-cyclopropyl-1-(2,6-dichlorophenyl)-1,6-naphthyridin-4-one

C17H10Cl4N2O — CID 160664174

IUPAC5,8-dichloro-2-cyclopropyl-1-(2,6-dichlorophenyl)-1,6-naphthyridin-4-one
SMILESO=c1cc(C2CC2)n(-c2c(Cl)cccc2Cl)c2c(Cl)cnc(Cl)c12
InChIInChI=1S/C17H10Cl4N2O/c18-9-2-1-3-10(19)15(9)23-12(8-4-5-8)6-13(24)14-16(23)11(20)7-22-17(14)21/h1-3,6-8H,4-5H2
InChIKeyRMBLPNCFPFRNIR-UHFFFAOYSA-N
MW400.09 g/mol
LogP5.88
Rot. Bonds2

About 5,8-dichloro-2-cyclopropyl-1-(2,6-dichlorophenyl)-1,6-naphthyridin-4-one

5,8-dichloro-2-cyclopropyl-1-(2,6-dichlorophenyl)-1,6-naphthyridin-4-one (PubChem CID 160664174) has the molecular formula C17H10Cl4N2O and a molecular weight of 400.09 g/mol. Its IUPAC name is 5,8-dichloro-2-cyclopropyl-1-(2,6-dichlorophenyl)-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name5,8-dichloro-2-cyclopropyl-1-(2,6-dichlorophenyl)-1,6-naphthyridin-4-one
PubChem CID160664174
Molecular FormulaC17H10Cl4N2O
Molecular Weight400.09 g/mol
Exact Mass397.95
IUPAC Name5,8-dichloro-2-cyclopropyl-1-(2,6-dichlorophenyl)-1,6-naphthyridin-4-one
SMILESO=c1cc(C2CC2)n(-c2c(Cl)cccc2Cl)c2c(Cl)cnc(Cl)c12
InChIInChI=1S/C17H10Cl4N2O/c18-9-2-1-3-10(19)15(9)23-12(8-4-5-8)6-13(24)14-16(23)11(20)7-22-17(14)21/h1-3,6-8H,4-5H2
InChIKeyRMBLPNCFPFRNIR-UHFFFAOYSA-N
XLogP5.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.09
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-chloro-1-(2,6-dichlorophenyl)-5-(2-hydroxybut-3-en-2-yl)-2-methyl-1,6-naphthyridin-4-one
CID 134453232
8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-hydroxypropyl)-1,6-naphthyridin-4-one
CID 134453218
8-cyclopropyl-1-(2,6-dichlorophenyl)-5-(2,3-dihydroxypropoxy)-2-methyl-1,6-naphthyridin-4-one
CID 134453202
8-chloro-1-(2,6-dichlorophenyl)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-(hydroxymethyl)-1,6-naphthyridin-4-one
CID 139433004
8-chloro-1-(2,6-dichlorophenyl)-2-(difluoromethyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1,6-naphthyridin-4-one
CID 140865905
1-(2-chloro-6-methylphenyl)-2,5,8-trimethyl-1,6-naphthyridin-4-one
CID 167180648
5-chloro-3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)methyl]quinazolin-4-one
CID 146144109
5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 126435275
2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine
CID 155146957
7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
CID 61495325
4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one
CID 22759477
4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136910495

Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-2-cyclopropyl-1-(2,6-dichlorophenyl)-1,6-naphthyridin-4-one?
The IUPAC name of 5,8-dichloro-2-cyclopropyl-1-(2,6-dichlorophenyl)-1,6-naphthyridin-4-one (CID 160664174) is 5,8-dichloro-2-cyclopropyl-1-(2,6-dichlorophenyl)-1,6-naphthyridin-4-one.
What is the SMILES notation for 5,8-dichloro-2-cyclopropyl-1-(2,6-dichlorophenyl)-1,6-naphthyridin-4-one?
The canonical SMILES for 5,8-dichloro-2-cyclopropyl-1-(2,6-dichlorophenyl)-1,6-naphthyridin-4-one is O=c1cc(C2CC2)n(-c2c(Cl)cccc2Cl)c2c(Cl)cnc(Cl)c12.
What is the InChIKey of 5,8-dichloro-2-cyclopropyl-1-(2,6-dichlorophenyl)-1,6-naphthyridin-4-one?
The InChIKey is RMBLPNCFPFRNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl4N2O/c18-9-2-1-3-10(19)15(9)23-12(8-4-5-8)6-13(24)14-16(23)11(20)7-22-17(14)21/h1-3,6-8H,4-5H2.
What are the key properties of 5,8-dichloro-2-cyclopropyl-1-(2,6-dichlorophenyl)-1,6-naphthyridin-4-one?
5,8-dichloro-2-cyclopropyl-1-(2,6-dichlorophenyl)-1,6-naphthyridin-4-one has a molecular weight of 400.09 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-2-cyclopropyl-1-(2,6-dichlorophenyl)-1,6-naphthyridin-4-one is sourced from PubChem (CID 160664174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).