(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate

C12H12N2O4 — CID 69164316

IUPAC(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate
SMILESCCn1cc(OC(=O)O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C12H12N2O4/c1-3-14-6-9(18-12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyBVNSGPXSVWLQMM-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.78
Rot. Bonds2

About (1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate

(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate (PubChem CID 69164316) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is (1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate
PubChem CID69164316
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate
SMILESCCn1cc(OC(=O)O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C12H12N2O4/c1-3-14-6-9(18-12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyBVNSGPXSVWLQMM-UHFFFAOYSA-N
XLogP1.78
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one
CID 10470853
butanoyloxymethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23276372
2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 45275731
3-ethenyl-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 15414761
(6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate
CID 70563744
(4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 974021
(7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate
CID 67847624
1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660897
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253
1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 11087497

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate?
The IUPAC name of (1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate (CID 69164316) is (1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate.
What is the SMILES notation for (1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate?
The canonical SMILES for (1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate is CCn1cc(OC(=O)O)c(=O)c2ccc(C)nc21.
What is the InChIKey of (1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate?
The InChIKey is BVNSGPXSVWLQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-3-14-6-9(18-12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of (1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate?
(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate has a molecular weight of 248.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate is sourced from PubChem (CID 69164316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).