7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane

C18H19ClN2O3 — CID 142381159

IUPAC7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane
SMILESCC.COc1cc(OC)cc(-c2cc3cnc(Cl)cc3c(=O)[nH]2)c1
InChIInChI=1S/C16H13ClN2O3.C2H6/c1-21-11-3-9(4-12(6-11)22-2)14-5-10-8-18-15(17)7-13(10)16(20)19-14;1-2/h3-8H,1-2H3,(H,19,20);1-2H3
InChIKeyBWFSALWGICPFSN-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.29
Rot. Bonds3

About 7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane

7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane (PubChem CID 142381159) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane.

Molecular Properties

Compound Name7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane
PubChem CID142381159
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane
SMILESCC.COc1cc(OC)cc(-c2cc3cnc(Cl)cc3c(=O)[nH]2)c1
InChIInChI=1S/C16H13ClN2O3.C2H6/c1-21-11-3-9(4-12(6-11)22-2)14-5-10-8-18-15(17)7-13(10)16(20)19-14;1-2/h3-8H,1-2H3,(H,19,20);1-2H3
InChIKeyBWFSALWGICPFSN-UHFFFAOYSA-N
XLogP4.29
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one
CID 135180205
7-chloro-3-(3,5-dimethoxyphenyl)-1-methyl-2,6-naphthyridine
CID 142754785
7-chloro-3-(3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one
CID 146474784
3-chloro-7-methoxyisoquinoline
CID 53425565
ethane;6-methoxy-3-(4-propan-2-yloxyphenyl)-2H-isoquinolin-1-one
CID 144609811
3-chloro-6-methoxyisoquinoline
CID 53407774
3,7-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
CID 126694462
6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-7H-pyrido[3,4-d]pyrimidin-8-one
CID 142380997
6-amino-2-(3,5-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271704
6-(3,5-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione
CID 106519204
2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline
CID 118036174
7-chloro-1-methoxypyrido[3,4-d]pyridazine
CID 156527015

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane?
The IUPAC name of 7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane (CID 142381159) is 7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane.
What is the SMILES notation for 7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane?
The canonical SMILES for 7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane is CC.COc1cc(OC)cc(-c2cc3cnc(Cl)cc3c(=O)[nH]2)c1.
What is the InChIKey of 7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane?
The InChIKey is BWFSALWGICPFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3.C2H6/c1-21-11-3-9(4-12(6-11)22-2)14-5-10-8-18-15(17)7-13(10)16(20)19-14;1-2/h3-8H,1-2H3,(H,19,20);1-2H3.
What are the key properties of 7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane?
7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane has a molecular weight of 346.81 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3,5-dimethoxyphenyl)-2H-2,6-naphthyridin-1-one;ethane is sourced from PubChem (CID 142381159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).