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

C19H17FN2O3 — CID 974021

IUPAC(4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCc2ccc(F)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C19H17FN2O3/c1-3-22-10-16(17(23)15-9-4-12(2)21-18(15)22)19(24)25-11-13-5-7-14(20)8-6-13/h4-10H,3,11H2,1-2H3
InChIKeyHCBNJULXHQCYNQ-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.22
Rot. Bonds4

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

(4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 974021) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID974021
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name(4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCc2ccc(F)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C19H17FN2O3/c1-3-22-10-16(17(23)15-9-4-12(2)21-18(15)22)19(24)25-11-13-5-7-14(20)8-6-13/h4-10H,3,11H2,1-2H3
InChIKeyHCBNJULXHQCYNQ-UHFFFAOYSA-N
XLogP3.22
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 1314297
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 42901274
butanoyloxymethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23276372
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5131244
2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 45275731
imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 102083348
ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 50790358
1-ethyl-N-[1-(4-fluorophenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 53087103
[2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23741999
2-(2-chlorophenoxy)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5164855
2-(4-chlorophenoxy)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3499151

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 974021) is (4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)OCc2ccc(F)cc2)c(=O)c2ccc(C)nc21.
What is the InChIKey of (4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is HCBNJULXHQCYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-3-22-10-16(17(23)15-9-4-12(2)21-18(15)22)19(24)25-11-13-5-7-14(20)8-6-13/h4-10H,3,11H2,1-2H3.
What are the key properties of (4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
(4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 340.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 974021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).