5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid

C16H16N2O2 — CID 117212734

IUPAC5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(CN2CCCc3ccccc32)c1
InChIInChI=1S/C16H16N2O2/c19-16(20)14-8-12(9-17-10-14)11-18-7-3-5-13-4-1-2-6-15(13)18/h1-2,4,6,8-10H,3,5,7,11H2,(H,19,20)
InChIKeyXRZCMHPXZILRAF-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.73
Rot. Bonds3

About 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid

5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid (PubChem CID 117212734) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid
PubChem CID117212734
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(CN2CCCc3ccccc32)c1
InChIInChI=1S/C16H16N2O2/c19-16(20)14-8-12(9-17-10-14)11-18-7-3-5-13-4-1-2-6-15(13)18/h1-2,4,6,8-10H,3,5,7,11H2,(H,19,20)
InChIKeyXRZCMHPXZILRAF-UHFFFAOYSA-N
XLogP2.73
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid
CID 106699040
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
CID 55054315
N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99955766
1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662618
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid
CID 117216917
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298
3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 43375573
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 99950072
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 30400404
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyridine-3-carbohydrazide
CID 51109543
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051050

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid (CID 117212734) is 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid is O=C(O)c1cncc(CN2CCCc3ccccc32)c1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid?
The InChIKey is XRZCMHPXZILRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(20)14-8-12(9-17-10-14)11-18-7-3-5-13-4-1-2-6-15(13)18/h1-2,4,6,8-10H,3,5,7,11H2,(H,19,20).
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid?
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid has a molecular weight of 268.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 117212734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).