1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid

C16H19N3O2 — CID 106903029

IUPAC1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCc1nccn1CCN1CC(C(=O)O)Cc2ccccc21
InChIInChI=1S/C16H19N3O2/c1-12-17-6-7-18(12)8-9-19-11-14(16(20)21)10-13-4-2-3-5-15(13)19/h2-7,14H,8-11H2,1H3,(H,20,21)
InChIKeyPRGBIUKUTYOJMB-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.96
Rot. Bonds4

About 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid

1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 106903029) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID106903029
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCc1nccn1CCN1CC(C(=O)O)Cc2ccccc21
InChIInChI=1S/C16H19N3O2/c1-12-17-6-7-18(12)8-9-19-11-14(16(20)21)10-13-4-2-3-5-15(13)19/h2-7,14H,8-11H2,1H3,(H,20,21)
InChIKeyPRGBIUKUTYOJMB-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902910
1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902942
1-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902983
(3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 94423103
2-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-3-yl]ethanamine
CID 63235578
1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903040
1-(2,2-difluoroethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903130
1-[(5-bromofuran-2-yl)methyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902992
1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903042
1-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 167922860
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-(2-methylimidazol-1-yl)propanamide
CID 91782036
1,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 75377529

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 106903029) is 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid is Cc1nccn1CCN1CC(C(=O)O)Cc2ccccc21.
What is the InChIKey of 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is PRGBIUKUTYOJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-17-6-7-18(12)8-9-19-11-14(16(20)21)10-13-4-2-3-5-15(13)19/h2-7,14H,8-11H2,1H3,(H,20,21).
What are the key properties of 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 106903029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).