(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone

C15H14N2O2 — CID 47180831

IUPAC(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C15H14N2O2/c18-14-4-3-11-5-7-17(10-13(11)8-14)15(19)12-2-1-6-16-9-12/h1-4,6,8-9,18H,5,7,10H2
InChIKeyAAXXKZVVXMUYCC-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.99
Rot. Bonds1

About (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone

(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone (PubChem CID 47180831) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
PubChem CID47180831
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C15H14N2O2/c18-14-4-3-11-5-7-17(10-13(11)8-14)15(19)12-2-1-6-16-9-12/h1-4,6,8-9,18H,5,7,10H2
InChIKeyAAXXKZVVXMUYCC-UHFFFAOYSA-N
XLogP1.99
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminophenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 60962963
(3-fluoro-4-pyridinyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 64949904
[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
CID 156525010
7-(pyridine-3-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 156865063
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1,2-oxazol-5-yl)methanone
CID 61328701
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82809173
(2,5-dihydroxyphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 107724119
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-phenylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109236023
(3-chloro-5-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81041263
furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47284651
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone
CID 163315032
(5-bromo-2-pyridinyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 62959552

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone?
The IUPAC name of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone (CID 47180831) is (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCc2ccc(O)cc2C1.
What is the InChIKey of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone?
The InChIKey is AAXXKZVVXMUYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-14-4-3-11-5-7-17(10-13(11)8-14)15(19)12-2-1-6-16-9-12/h1-4,6,8-9,18H,5,7,10H2.
What are the key properties of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone?
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone has a molecular weight of 254.29 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 47180831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).