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

C19H17ClFN3O2 — CID 50836585

IUPACpropyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H17ClFN3O2/c1-3-8-26-19(25)14-10-22-18-13(6-4-11(2)23-18)17(14)24-12-5-7-16(21)15(20)9-12/h4-7,9-10H,3,8H2,1-2H3,(H,22,23,24)
InChIKeyOYQCNKRIZKMXPR-UHFFFAOYSA-N
MW373.82 g/mol
LogP5.04
Rot. Bonds5

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

propyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 50836585) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is propyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namepropyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID50836585
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Namepropyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H17ClFN3O2/c1-3-8-26-19(25)14-10-22-18-13(6-4-11(2)23-18)17(14)24-12-5-7-16(21)15(20)9-12/h4-7,9-10H,3,8H2,1-2H3,(H,22,23,24)
InChIKeyOYQCNKRIZKMXPR-UHFFFAOYSA-N
XLogP5.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.82
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 4-(3-chloro-4-fluoroanilino)-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
propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836411
ethyl 4-(3-chloro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258432
propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836366
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
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-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258349
ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258435
methyl 4-(3-chloro-4-methoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063412

Frequently Asked Questions

What is the IUPAC name of propyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of propyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 50836585) is propyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for propyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for propyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of propyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is OYQCNKRIZKMXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-3-8-26-19(25)14-10-22-18-13(6-4-11(2)23-18)17(14)24-12-5-7-16(21)15(20)9-12/h4-7,9-10H,3,8H2,1-2H3,(H,22,23,24).
What are the key properties of propyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
propyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 373.82 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 50836585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).