1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

C16H18N2O2 — CID 65496320

IUPAC1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESN#CCC1(CN2CCCc3c(C(=O)O)cccc32)CC1
InChIInChI=1S/C16H18N2O2/c17-9-8-16(6-7-16)11-18-10-2-4-12-13(15(19)20)3-1-5-14(12)18/h1,3,5H,2,4,6-8,10-11H2,(H,19,20)
InChIKeyREJWAYYSFBJBSG-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.83
Rot. Bonds4

About 1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 65496320) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID65496320
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESN#CCC1(CN2CCCc3c(C(=O)O)cccc32)CC1
InChIInChI=1S/C16H18N2O2/c17-9-8-16(6-7-16)11-18-10-2-4-12-13(15(19)20)3-1-5-14(12)18/h1,3,5H,2,4,6-8,10-11H2,(H,19,20)
InChIKeyREJWAYYSFBJBSG-UHFFFAOYSA-N
XLogP2.83
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azetidin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839962
1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 80695916
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-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 54926085
1-[(E)-but-2-enyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60840478
1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60838604
1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839961
1-[(3-methylpyrazin-2-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 167806762
1-(3-methoxy-3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 103018301
1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 106454610
1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60840475

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 65496320) is 1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid is N#CCC1(CN2CCCc3c(C(=O)O)cccc32)CC1.
What is the InChIKey of 1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is REJWAYYSFBJBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-9-8-16(6-7-16)11-18-10-2-4-12-13(15(19)20)3-1-5-14(12)18/h1,3,5H,2,4,6-8,10-11H2,(H,19,20).
What are the key properties of 1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 65496320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).