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

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

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Related Compounds

[4-(dimethylamino)-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(oxolan-3-yl)methanone
CID 131650933
[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone
CID 95723300
ethyl 4-[(3S)-oxane-3-carbonyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxylate
CID 138573038
ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26142747
(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(3S)-oxolan-3-yl]methanone
CID 175915760
(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(oxolan-3-yl)methanone
CID 163351889
[3-[[methyl(propan-2-yl)amino]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(oxolan-3-yl)methanone
CID 131697231
(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3S)-oxolan-3-yl]methanone
CID 129348966
(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(oxolan-3-yl)methanone
CID 126853103
(4-morpholin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-(oxolan-3-yl)methanone
CID 131638653
[(3S)-oxolan-3-yl]-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 176865071
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone
CID 121184532

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).