ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate

C24H21N3O3 — CID 19258365

IUPACethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c1-3-29-24(28)21-15-25-23-20(14-9-16(2)26-23)22(21)27-17-10-12-19(13-11-17)30-18-7-5-4-6-8-18/h4-15H,3H2,1-2H3,(H,25,26,27)
InChIKeyDYWKILFYEUFLTG-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.65
Rot. Bonds6

About ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate

ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate (PubChem CID 19258365) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate
PubChem CID19258365
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Nameethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c1-3-29-24(28)21-15-25-23-20(14-9-16(2)26-23)22(21)27-17-10-12-19(13-11-17)30-18-7-5-4-6-8-18/h4-15H,3H2,1-2H3,(H,25,26,27)
InChIKeyDYWKILFYEUFLTG-UHFFFAOYSA-N
XLogP5.65
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836366
ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258349
propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132137
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-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063644
propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836411
ethyl 4-(2,4-dimethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258401
methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132036
propyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836368
propan-2-yl 4-(4-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063613
ethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 10017051

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate (CID 19258365) is ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate?
The InChIKey is DYWKILFYEUFLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-3-29-24(28)21-15-25-23-20(14-9-16(2)26-23)22(21)27-17-10-12-19(13-11-17)30-18-7-5-4-6-8-18/h4-15H,3H2,1-2H3,(H,25,26,27).
What are the key properties of ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate?
ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate has a molecular weight of 399.45 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 19258365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).