2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid

C16H16N2O2 — CID 134480347

IUPAC2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
SMILESCN1CCc2cc(C(=O)O)c(-c3cccnc3)cc2C1
InChIInChI=1S/C16H16N2O2/c1-18-6-4-11-7-15(16(19)20)14(8-13(11)10-18)12-3-2-5-17-9-12/h2-3,5,7-9H,4,6,10H2,1H3,(H,19,20)
InChIKeyRMSRDYBVTNMXGM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.43
Rot. Bonds2

About 2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid

2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid (PubChem CID 134480347) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
PubChem CID134480347
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
SMILESCN1CCc2cc(C(=O)O)c(-c3cccnc3)cc2C1
InChIInChI=1S/C16H16N2O2/c1-18-6-4-11-7-15(16(19)20)14(8-13(11)10-18)12-3-2-5-17-9-12/h2-3,5,7-9H,4,6,10H2,1H3,(H,19,20)
InChIKeyRMSRDYBVTNMXGM-UHFFFAOYSA-N
XLogP2.43
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid?
The IUPAC name of 2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid (CID 134480347) is 2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid.
What is the SMILES notation for 2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid?
The canonical SMILES for 2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid is CN1CCc2cc(C(=O)O)c(-c3cccnc3)cc2C1.
What is the InChIKey of 2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid?
The InChIKey is RMSRDYBVTNMXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18-6-4-11-7-15(16(19)20)14(8-13(11)10-18)12-3-2-5-17-9-12/h2-3,5,7-9H,4,6,10H2,1H3,(H,19,20).
What are the key properties of 2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid?
2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid has a molecular weight of 268.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid is sourced from PubChem (CID 134480347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).