7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-propyl-1,6-naphthyridin-2-one

C19H17Cl3N2O3 — CID 142381060

IUPAC7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-propyl-1,6-naphthyridin-2-one
SMILESCCCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(Cl)cc21
InChIInChI=1S/C19H17Cl3N2O3/c1-4-5-24-12-7-15(20)23-9-10(12)6-11(19(24)25)16-17(21)13(26-2)8-14(27-3)18(16)22/h6-9H,4-5H2,1-3H3
InChIKeyCMDJFPOVPTVYMX-UHFFFAOYSA-N
MW427.72 g/mol
LogP5.45
Rot. Bonds5

About 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-propyl-1,6-naphthyridin-2-one

7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-propyl-1,6-naphthyridin-2-one (PubChem CID 142381060) has the molecular formula C19H17Cl3N2O3 and a molecular weight of 427.72 g/mol. Its IUPAC name is 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-propyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-propyl-1,6-naphthyridin-2-one
PubChem CID142381060
Molecular FormulaC19H17Cl3N2O3
Molecular Weight427.72 g/mol
Exact Mass426.03
IUPAC Name7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-propyl-1,6-naphthyridin-2-one
SMILESCCCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(Cl)cc21
InChIInChI=1S/C19H17Cl3N2O3/c1-4-5-24-12-7-15(20)23-9-10(12)6-11(19(24)25)16-17(21)13(26-2)8-14(27-3)18(16)22/h6-9H,4-5H2,1-3H3
InChIKeyCMDJFPOVPTVYMX-UHFFFAOYSA-N
XLogP5.45
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.72
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one
CID 146474786
7-chloro-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-methyl-1,6-naphthyridin-2-one
CID 139396179
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-1,6-naphthyridin-2-one
CID 146474745
3-[4-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-5-methylpyrazol-1-yl]propanenitrile
CID 146474683
7-(2,6-dichloro-3,5-dimethoxyphenyl)-9-ethyl-2-methyl-1H-imidazo[4,5-h][1,6]naphthyridin-8-one
CID 24898632
2-[4-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-3-methylpyrazol-1-yl]acetonitrile
CID 146474788
3-[8-chloro-4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-2-yl]propanal
CID 142576016
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(ethylamino)-1-[2-[methyl-(1-prop-2-enoylazetidin-3-yl)amino]ethyl]-1,6-naphthyridin-2-one
CID 118296045
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[5-(1-hydroxyprop-2-enylamino)-2-methoxyphenyl]-1,6-naphthyridin-2-one
CID 123721623
3-(6-butanoyl-4-methyl-3-pyridinyl)-7-chloro-1-(2-fluoroethyl)-1,6-naphthyridin-2-one
CID 166123434
N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide
CID 123735229
4-[3-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]-2,6-dimethylpiperazine-1-carbaldehyde
CID 135227263

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-propyl-1,6-naphthyridin-2-one?
The IUPAC name of 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-propyl-1,6-naphthyridin-2-one (CID 142381060) is 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-propyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-propyl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-propyl-1,6-naphthyridin-2-one is CCCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(Cl)cc21.
What is the InChIKey of 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-propyl-1,6-naphthyridin-2-one?
The InChIKey is CMDJFPOVPTVYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3N2O3/c1-4-5-24-12-7-15(20)23-9-10(12)6-11(19(24)25)16-17(21)13(26-2)8-14(27-3)18(16)22/h6-9H,4-5H2,1-3H3.
What are the key properties of 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-propyl-1,6-naphthyridin-2-one?
7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-propyl-1,6-naphthyridin-2-one has a molecular weight of 427.72 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-propyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 142381060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).