(5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone

C16H16N2O2 — CID 116562019

IUPAC(5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
SMILESCOc1cncc(C(=O)C2NCCc3ccccc32)c1
InChIInChI=1S/C16H16N2O2/c1-20-13-8-12(9-17-10-13)16(19)15-14-5-3-2-4-11(14)6-7-18-15/h2-5,8-10,15,18H,6-7H2,1H3
InChIKeyNBOOVMOKPRFSIS-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.16
Rot. Bonds3

About (5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone

(5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone (PubChem CID 116562019) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone.

Molecular Properties

Compound Name(5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
PubChem CID116562019
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
SMILESCOc1cncc(C(=O)C2NCCc3ccccc32)c1
InChIInChI=1S/C16H16N2O2/c1-20-13-8-12(9-17-10-13)16(19)15-14-5-3-2-4-11(14)6-7-18-15/h2-5,8-10,15,18H,6-7H2,1H3
InChIKeyNBOOVMOKPRFSIS-UHFFFAOYSA-N
XLogP2.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone with MolForge

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116562003
(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116562030
(4-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116561967
(4-methoxyphenyl) 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 141338899
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 7010656
sodium (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 122531352
1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride
CID 173135216
(4-chloro-1-ethylpyrazol-5-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 114668822
1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 79177948
(5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
CID 105124040

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone?
The IUPAC name of (5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone (CID 116562019) is (5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone.
What is the SMILES notation for (5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone?
The canonical SMILES for (5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone is COc1cncc(C(=O)C2NCCc3ccccc32)c1.
What is the InChIKey of (5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone?
The InChIKey is NBOOVMOKPRFSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-13-8-12(9-17-10-13)16(19)15-14-5-3-2-4-11(14)6-7-18-15/h2-5,8-10,15,18H,6-7H2,1H3.
What are the key properties of (5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone?
(5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone has a molecular weight of 268.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone is sourced from PubChem (CID 116562019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).