propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

C21H23N3O2 — CID 50836411

IUPACpropyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(C)c1
InChIInChI=1S/C21H23N3O2/c1-5-10-26-21(25)18-12-22-20-17(9-7-15(4)23-20)19(18)24-16-8-6-13(2)14(3)11-16/h6-9,11-12H,5,10H2,1-4H3,(H,22,23,24)
InChIKeyADEAHEZSWZLDSL-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.87
Rot. Bonds5

About propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 50836411) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namepropyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID50836411
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Namepropyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(C)c1
InChIInChI=1S/C21H23N3O2/c1-5-10-26-21(25)18-12-22-20-17(9-7-15(4)23-20)19(18)24-16-8-6-13(2)14(3)11-16/h6-9,11-12H,5,10H2,1-4H3,(H,22,23,24)
InChIKeyADEAHEZSWZLDSL-UHFFFAOYSA-N
XLogP4.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836366
methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132016
propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063644
propyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836368
propyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836649
propyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836585
ethyl 4-(3-chloro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258432
ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063486
propyl 4-(3-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836623
propyl 4-(2-hydroxy-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836500
ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258435
ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate
CID 19258365

Frequently Asked Questions

What is the IUPAC name of propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 50836411) is propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(C)c1.
What is the InChIKey of propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is ADEAHEZSWZLDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-5-10-26-21(25)18-12-22-20-17(9-7-15(4)23-20)19(18)24-16-8-6-13(2)14(3)11-16/h6-9,11-12H,5,10H2,1-4H3,(H,22,23,24).
What are the key properties of propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 50836411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).