ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride

C19H19ClFN3O2 — CID 146063486

IUPACethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(F)c1.Cl
InChIInChI=1S/C19H18FN3O2.ClH/c1-4-25-19(24)15-10-21-18-14(8-6-12(3)22-18)17(15)23-13-7-5-11(2)16(20)9-13;/h5-10H,4H2,1-3H3,(H,21,22,23);1H
InChIKeyZFWWYNZKLHTSRO-UHFFFAOYSA-N
MW375.83 g/mol
LogP4.73
Rot. Bonds4

About ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride

ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride (PubChem CID 146063486) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
PubChem CID146063486
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Nameethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(F)c1.Cl
InChIInChI=1S/C19H18FN3O2.ClH/c1-4-25-19(24)15-10-21-18-14(8-6-12(3)22-18)17(15)23-13-7-5-11(2)16(20)9-13;/h5-10H,4H2,1-3H3,(H,21,22,23);1H
InChIKeyZFWWYNZKLHTSRO-UHFFFAOYSA-N
XLogP4.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3-chloro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258432
propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836411
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-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258349
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
methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132016
ethyl 4-(5-chloro-2-methoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258344
propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836366
methyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063443
propyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836368

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride (CID 146063486) is ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride is CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(F)c1.Cl.
What is the InChIKey of ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
The InChIKey is ZFWWYNZKLHTSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2.ClH/c1-4-25-19(24)15-10-21-18-14(8-6-12(3)22-18)17(15)23-13-7-5-11(2)16(20)9-13;/h5-10H,4H2,1-3H3,(H,21,22,23);1H.
What are the key properties of ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride?
ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride has a molecular weight of 375.83 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 146063486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).