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

C17H14FN3O2 — CID 53132008

IUPACmethyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(F)c1
InChIInChI=1S/C17H14FN3O2/c1-10-6-7-13-15(21-12-5-3-4-11(18)8-12)14(17(22)23-2)9-19-16(13)20-10/h3-9H,1-2H3,(H,19,20,21)
InChIKeyVRBWXRZRHOCUAH-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.61
Rot. Bonds3

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

methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 53132008) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID53132008
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Namemethyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(F)c1
InChIInChI=1S/C17H14FN3O2/c1-10-6-7-13-15(21-12-5-3-4-11(18)8-12)14(17(22)23-2)9-19-16(13)20-10/h3-9H,1-2H3,(H,19,20,21)
InChIKeyVRBWXRZRHOCUAH-UHFFFAOYSA-N
XLogP3.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate
CID 53132058
methyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063443
methyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132016
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063793
methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132036
methyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate
CID 53132011
methyl 4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132064
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 95092522
methyl 4-(3-chloro-4-methoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063412
propan-2-yl 4-(4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132109
methyl 4-(3-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132023
methyl 4-(2-iodoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132018

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 53132008) is methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is COC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(F)c1.
What is the InChIKey of methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is VRBWXRZRHOCUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-10-6-7-13-15(21-12-5-3-4-11(18)8-12)14(17(22)23-2)9-19-16(13)20-10/h3-9H,1-2H3,(H,19,20,21).
What are the key properties of methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate?
methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 311.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 53132008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).