ethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

C11H14N2O2 — CID 23394084

IUPACethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)N1CCc2ccncc2C1
InChIInChI=1S/C11H14N2O2/c1-2-15-11(14)13-6-4-9-3-5-12-7-10(9)8-13/h3,5,7H,2,4,6,8H2,1H3
InChIKeyIWHBWWGLMIJZCG-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.60
Rot. Bonds1

About ethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

ethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (PubChem CID 23394084) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is ethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
PubChem CID23394084
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Nameethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)N1CCc2ccncc2C1
InChIInChI=1S/C11H14N2O2/c1-2-15-11(14)13-6-4-9-3-5-12-7-10(9)8-13/h3,5,7H,2,4,6,8H2,1H3
InChIKeyIWHBWWGLMIJZCG-UHFFFAOYSA-N
XLogP1.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 118993560
ethyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 168897909
ethyl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 90012693
ethyl 5-(diethylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112530521
ethyl 7-amino-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 58494878
ethyl 8-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 114523491
1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid
CID 70298900
ethyl 2-pyridin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 68644063
ethyl 7-(2-oxopropyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 58494890
ethyl 3-hydroxyiminopyrrolidine-1-carboxylate
CID 71434528
3-(4-ethoxycarbonylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 107877070
ethyl 5-[(2,3-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522574

Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The IUPAC name of ethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (CID 23394084) is ethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is CCOC(=O)N1CCc2ccncc2C1.
What is the InChIKey of ethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The InChIKey is IWHBWWGLMIJZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-15-11(14)13-6-4-9-3-5-12-7-10(9)8-13/h3,5,7H,2,4,6,8H2,1H3.
What are the key properties of ethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
ethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate has a molecular weight of 206.25 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 23394084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).