ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate

C25H22ClN3O3 — CID 19258349

IUPACethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H22ClN3O3/c1-3-31-25(30)22-14-27-24-21(13-4-16(2)28-24)23(22)29-19-9-11-20(12-10-19)32-15-17-5-7-18(26)8-6-17/h4-14H,3,15H2,1-2H3,(H,27,28,29)
InChIKeyXFQHSBMEVZJKCO-UHFFFAOYSA-N
MW447.92 g/mol
LogP6.09
Rot. Bonds7

About ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate

ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 19258349) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID19258349
Molecular FormulaC25H22ClN3O3
Molecular Weight447.92 g/mol
Exact Mass447.13
IUPAC Nameethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H22ClN3O3/c1-3-31-25(30)22-14-27-24-21(13-4-16(2)28-24)23(22)29-19-9-11-20(12-10-19)32-15-17-5-7-18(26)8-6-17/h4-14H,3,15H2,1-2H3,(H,27,28,29)
InChIKeyXFQHSBMEVZJKCO-UHFFFAOYSA-N
XLogP6.09
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.92
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate with MolForge

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Related Compounds

propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063644
ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate
CID 19258365
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
propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132137
ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258435
propyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836585
ethyl 4-(5-chloro-2-methoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258344
propan-2-yl 4-(4-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063613
propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836366
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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate (CID 19258349) is ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is XFQHSBMEVZJKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3/c1-3-31-25(30)22-14-27-24-21(13-4-16(2)28-24)23(22)29-19-9-11-20(12-10-19)32-15-17-5-7-18(26)8-6-17/h4-14H,3,15H2,1-2H3,(H,27,28,29).
What are the key properties of ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate?
ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 447.92 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 19258349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).