methyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate

C18H15Cl2N3O2 — CID 162351959

IUPACmethyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2c(-c3cc(Cl)cc(Cl)c3)nccc2c1N(C)C
InChIInChI=1S/C18H15Cl2N3O2/c1-23(2)17-13-4-5-21-15(10-6-11(19)8-12(20)7-10)16(13)22-9-14(17)18(24)25-3/h4-9H,1-3H3
InChIKeyHWBOIOTWVBNTTP-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.46
Rot. Bonds3

About methyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate

methyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate (PubChem CID 162351959) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is methyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate
PubChem CID162351959
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Namemethyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2c(-c3cc(Cl)cc(Cl)c3)nccc2c1N(C)C
InChIInChI=1S/C18H15Cl2N3O2/c1-23(2)17-13-4-5-21-15(10-6-11(19)8-12(20)7-10)16(13)22-9-14(17)18(24)25-3/h4-9H,1-3H3
InChIKeyHWBOIOTWVBNTTP-UHFFFAOYSA-N
XLogP4.46
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate?
The IUPAC name of methyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate (CID 162351959) is methyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate is COC(=O)c1cnc2c(-c3cc(Cl)cc(Cl)c3)nccc2c1N(C)C.
What is the InChIKey of methyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate?
The InChIKey is HWBOIOTWVBNTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-23(2)17-13-4-5-21-15(10-6-11(19)8-12(20)7-10)16(13)22-9-14(17)18(24)25-3/h4-9H,1-3H3.
What are the key properties of methyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate?
methyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate has a molecular weight of 376.24 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 162351959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).