ethyl 3-(dimethylamino)-7-(oxolane-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate

C18H25N3O4 — CID 131696324

IUPACethyl 3-(dimethylamino)-7-(oxolane-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
SMILESCCOC(=O)c1c(N(C)C)ncc2c1CCN(C(=O)C1CCOC1)C2
InChIInChI=1S/C18H25N3O4/c1-4-25-18(23)15-14-5-7-21(17(22)12-6-8-24-11-12)10-13(14)9-19-16(15)20(2)3/h9,12H,4-8,10-11H2,1-3H3
InChIKeyJCWSHIXPHPCDNN-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.25
Rot. Bonds4

About ethyl 3-(dimethylamino)-7-(oxolane-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate

ethyl 3-(dimethylamino)-7-(oxolane-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate (PubChem CID 131696324) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)-7-(oxolane-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)-7-(oxolane-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
PubChem CID131696324
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nameethyl 3-(dimethylamino)-7-(oxolane-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
SMILESCCOC(=O)c1c(N(C)C)ncc2c1CCN(C(=O)C1CCOC1)C2
InChIInChI=1S/C18H25N3O4/c1-4-25-18(23)15-14-5-7-21(17(22)12-6-8-24-11-12)10-13(14)9-19-16(15)20(2)3/h9,12H,4-8,10-11H2,1-3H3
InChIKeyJCWSHIXPHPCDNN-UHFFFAOYSA-N
XLogP1.25
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)-7-(oxolane-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The IUPAC name of ethyl 3-(dimethylamino)-7-(oxolane-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate (CID 131696324) is ethyl 3-(dimethylamino)-7-(oxolane-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-(dimethylamino)-7-(oxolane-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The canonical SMILES for ethyl 3-(dimethylamino)-7-(oxolane-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate is CCOC(=O)c1c(N(C)C)ncc2c1CCN(C(=O)C1CCOC1)C2.
What is the InChIKey of ethyl 3-(dimethylamino)-7-(oxolane-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The InChIKey is JCWSHIXPHPCDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-4-25-18(23)15-14-5-7-21(17(22)12-6-8-24-11-12)10-13(14)9-19-16(15)20(2)3/h9,12H,4-8,10-11H2,1-3H3.
What are the key properties of ethyl 3-(dimethylamino)-7-(oxolane-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
ethyl 3-(dimethylamino)-7-(oxolane-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate has a molecular weight of 347.42 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)-7-(oxolane-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 131696324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).