1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

C16H16N2O2 — CID 60838604

IUPAC1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2Cc1ccccn1
InChIInChI=1S/C16H16N2O2/c19-16(20)14-6-3-8-15-13(14)7-4-10-18(15)11-12-5-1-2-9-17-12/h1-3,5-6,8-9H,4,7,10-11H2,(H,19,20)
InChIKeyFUHQUPOLTDTOSL-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.73
Rot. Bonds3

About 1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 60838604) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID60838604
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2Cc1ccccn1
InChIInChI=1S/C16H16N2O2/c19-16(20)14-6-3-8-15-13(14)7-4-10-18(15)11-12-5-1-2-9-17-12/h1-3,5-6,8-9H,4,7,10-11H2,(H,19,20)
InChIKeyFUHQUPOLTDTOSL-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

1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 138003201
1-[(3-methylpyrazin-2-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 167806762
1-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 154799391
1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 154740793
1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 167804837
1-[2-(azetidin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839962
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 56828575
1-(2-bromoprop-2-enyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60873220
1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 65496320
1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839961
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78897275
1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 106454610

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 60838604) is 1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is O=C(O)c1cccc2c1CCCN2Cc1ccccn1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is FUHQUPOLTDTOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(20)14-6-3-8-15-13(14)7-4-10-18(15)11-12-5-1-2-9-17-12/h1-3,5-6,8-9H,4,7,10-11H2,(H,19,20).
What are the key properties of 1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-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 1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 60838604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).