7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one

C14H20N2O4S — CID 174213118

IUPAC7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
SMILESO=C(C1CCS(O)(O)CC1)N1CCc2cc(=O)[nH]cc2C1
InChIInChI=1S/C14H20N2O4S/c17-13-7-11-1-4-16(9-12(11)8-15-13)14(18)10-2-5-21(19,20)6-3-10/h7-8,10,19-20H,1-6,9H2,(H,15,17)
InChIKeyCLRHYVKWOCMFOF-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.42
Rot. Bonds1

About 7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one

7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one (PubChem CID 174213118) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one.

Molecular Properties

Compound Name7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
PubChem CID174213118
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
SMILESO=C(C1CCS(O)(O)CC1)N1CCc2cc(=O)[nH]cc2C1
InChIInChI=1S/C14H20N2O4S/c17-13-7-11-1-4-16(9-12(11)8-15-13)14(18)10-2-5-21(19,20)6-3-10/h7-8,10,19-20H,1-6,9H2,(H,15,17)
InChIKeyCLRHYVKWOCMFOF-UHFFFAOYSA-N
XLogP1.42
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one with MolForge

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Related Compounds

6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylic acid
CID 69401533
6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 112708591
7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 156865063
(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-ylmethanone
CID 59069334
N-(4,5-dichloro-2-pyridinyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide
CID 169209029
7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 156864966
7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 176500063
2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 69041392
(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-3-ylmethanone
CID 59069252
7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 176506843
4-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 120674494
cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47180816

Frequently Asked Questions

What is the IUPAC name of 7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The IUPAC name of 7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one (CID 174213118) is 7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one.
What is the SMILES notation for 7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The canonical SMILES for 7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one is O=C(C1CCS(O)(O)CC1)N1CCc2cc(=O)[nH]cc2C1.
What is the InChIKey of 7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The InChIKey is CLRHYVKWOCMFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c17-13-7-11-1-4-16(9-12(11)8-15-13)14(18)10-2-5-21(19,20)6-3-10/h7-8,10,19-20H,1-6,9H2,(H,15,17).
What are the key properties of 7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one has a molecular weight of 312.39 g/mol, XLogP of 1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one is sourced from PubChem (CID 174213118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).