propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

C21H23N3O3 — CID 53132137

IUPACpropan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCOc1ccc(Nc2c(C(=O)OC(C)C)cnc3nc(C)ccc23)cc1
InChIInChI=1S/C21H23N3O3/c1-5-26-16-9-7-15(8-10-16)24-19-17-11-6-14(4)23-20(17)22-12-18(19)21(25)27-13(2)3/h6-13H,5H2,1-4H3,(H,22,23,24)
InChIKeyFISMNZBJPZIOGB-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.65
Rot. Bonds6

About propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate

propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 53132137) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID53132137
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Namepropan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCOc1ccc(Nc2c(C(=O)OC(C)C)cnc3nc(C)ccc23)cc1
InChIInChI=1S/C21H23N3O3/c1-5-26-16-9-7-15(8-10-16)24-19-17-11-6-14(4)23-20(17)22-12-18(19)21(25)27-13(2)3/h6-13H,5H2,1-4H3,(H,22,23,24)
InChIKeyFISMNZBJPZIOGB-UHFFFAOYSA-N
XLogP4.65
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 4-(4-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063613
propan-2-yl 4-(4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132109
propan-2-yl 4-(4-hydroxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063594
propan-2-yl 7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063577
propan-2-yl 4-(4-iodoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063615
propan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063553
ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate
CID 19258365
ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258349
[4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064188
propan-2-yl 4-(2-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132136
propan-2-yl 4-(2,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132129
propan-2-yl 4-(2,3-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063583

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 53132137) is propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is CCOc1ccc(Nc2c(C(=O)OC(C)C)cnc3nc(C)ccc23)cc1.
What is the InChIKey of propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is FISMNZBJPZIOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-5-26-16-9-7-15(8-10-16)24-19-17-11-6-14(4)23-20(17)22-12-18(19)21(25)27-13(2)3/h6-13H,5H2,1-4H3,(H,22,23,24).
What are the key properties of propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 53132137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).