7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid

C12H15ClN2O2 — CID 129272049

IUPAC7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid
SMILESCCC1C(C(=O)O)Cc2ncc(Cl)cc2N1C
InChIInChI=1S/C12H15ClN2O2/c1-3-10-8(12(16)17)5-9-11(15(10)2)4-7(13)6-14-9/h4,6,8,10H,3,5H2,1-2H3,(H,16,17)
InChIKeyQZBRCGOUIVESBT-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.21
Rot. Bonds2

About 7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid

7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid (PubChem CID 129272049) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid
PubChem CID129272049
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid
SMILESCCC1C(C(=O)O)Cc2ncc(Cl)cc2N1C
InChIInChI=1S/C12H15ClN2O2/c1-3-10-8(12(16)17)5-9-11(15(10)2)4-7(13)6-14-9/h4,6,8,10H,3,5H2,1-2H3,(H,16,17)
InChIKeyQZBRCGOUIVESBT-UHFFFAOYSA-N
XLogP2.21
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid (CID 129272049) is 7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid is CCC1C(C(=O)O)Cc2ncc(Cl)cc2N1C.
What is the InChIKey of 7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is QZBRCGOUIVESBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-3-10-8(12(16)17)5-9-11(15(10)2)4-7(13)6-14-9/h4,6,8,10H,3,5H2,1-2H3,(H,16,17).
What are the key properties of 7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid?
7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 254.72 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 129272049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).