7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one

C21H26N2O3 — CID 176500063

IUPAC7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
SMILESCC(C)c1cc(C(=O)N2CCc3cc(=O)[nH]cc3C2)c(O)c(C(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-12(2)15-7-17(13(3)4)20(25)18(8-15)21(26)23-6-5-14-9-19(24)22-10-16(14)11-23/h7-10,12-13,25H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyWTDVHTSOLKJJMT-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.53
Rot. Bonds3

About 7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one

7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one (PubChem CID 176500063) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one.

Molecular Properties

Compound Name7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
PubChem CID176500063
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
SMILESCC(C)c1cc(C(=O)N2CCc3cc(=O)[nH]cc3C2)c(O)c(C(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-12(2)15-7-17(13(3)4)20(25)18(8-15)21(26)23-6-5-14-9-19(24)22-10-16(14)11-23/h7-10,12-13,25H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyWTDVHTSOLKJJMT-UHFFFAOYSA-N
XLogP3.53
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-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
7-(3-methyl-1,2-oxazole-5-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 156864966
2-hydroxy-3,5-di(propan-2-yl)benzoic acid;zinc
CID 70405598
7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 174213118
chromium;bis(2-hydroxy-3,5-di(propan-2-yl)benzoic acid);hydrate
CID 11979740
[5-hydroxy-2-(trifluoromethyl)phenyl]-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 166331683
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 42903540
(5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone
CID 135228464
(2,4-dihydroxy-5-propan-2-ylphenyl)-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 143655097
N-(3-chloro-4-methylphenyl)-7-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxamide
CID 162376955
N-(4,5-dichloro-2-pyridinyl)-6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide
CID 169209029
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione
CID 71778344

Frequently Asked Questions

What is the IUPAC name of 7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The IUPAC name of 7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one (CID 176500063) is 7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one.
What is the SMILES notation for 7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The canonical SMILES for 7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one is CC(C)c1cc(C(=O)N2CCc3cc(=O)[nH]cc3C2)c(O)c(C(C)C)c1.
What is the InChIKey of 7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The InChIKey is WTDVHTSOLKJJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-12(2)15-7-17(13(3)4)20(25)18(8-15)21(26)23-6-5-14-9-19(24)22-10-16(14)11-23/h7-10,12-13,25H,5-6,11H2,1-4H3,(H,22,24).
What are the key properties of 7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one has a molecular weight of 354.45 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one is sourced from PubChem (CID 176500063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).