3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate

C14H15BrN2O4 — CID 68750807

IUPAC3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCCCO)c(=O)c2cc(Br)cnc21
InChIInChI=1S/C14H15BrN2O4/c1-2-17-8-11(14(20)21-5-3-4-18)12(19)10-6-9(15)7-16-13(10)17/h6-8,18H,2-5H2,1H3
InChIKeyFYBDEZFYCXFPIH-UHFFFAOYSA-N
MW355.19 g/mol
LogP1.72
Rot. Bonds5

About 3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate

3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 68750807) has the molecular formula C14H15BrN2O4 and a molecular weight of 355.19 g/mol. Its IUPAC name is 3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID68750807
Molecular FormulaC14H15BrN2O4
Molecular Weight355.19 g/mol
Exact Mass354.02
IUPAC Name3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCCCO)c(=O)c2cc(Br)cnc21
InChIInChI=1S/C14H15BrN2O4/c1-2-17-8-11(14(20)21-5-3-4-18)12(19)10-6-9(15)7-16-13(10)17/h6-8,18H,2-5H2,1H3
InChIKeyFYBDEZFYCXFPIH-UHFFFAOYSA-N
XLogP1.72
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90120654
(6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid
CID 140944007
tert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 163253778
ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)
CID 20794343
non-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 102200064
ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate
CID 15414746
ethyl 6-amino-1-ethyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylate
CID 13041126
(3-bromophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 1314297
2-hydroxyethyl 1-ethyl-6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 68750820
ethyl 5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylate
CID 153403522
6-(2-aminoethylsulfanyl)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69453687
2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 45275731

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of 3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 68750807) is 3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for 3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for 3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)OCCCO)c(=O)c2cc(Br)cnc21.
What is the InChIKey of 3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is FYBDEZFYCXFPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4/c1-2-17-8-11(14(20)21-5-3-4-18)12(19)10-6-9(15)7-16-13(10)17/h6-8,18H,2-5H2,1H3.
What are the key properties of 3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate?
3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 355.19 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 68750807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).