1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone

C17H21N3O — CID 102662559

IUPAC1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCCN2CCn1ccnc1C
InChIInChI=1S/C17H21N3O/c1-13(21)15-5-6-17-16(12-15)4-3-8-20(17)11-10-19-9-7-18-14(19)2/h5-7,9,12H,3-4,8,10-11H2,1-2H3
InChIKeyMRLKSCNKMGOLOG-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.85
Rot. Bonds4

About 1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone

1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone (PubChem CID 102662559) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
PubChem CID102662559
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCCN2CCn1ccnc1C
InChIInChI=1S/C17H21N3O/c1-13(21)15-5-6-17-16(12-15)4-3-8-20(17)11-10-19-9-7-18-14(19)2/h5-7,9,12H,3-4,8,10-11H2,1-2H3
InChIKeyMRLKSCNKMGOLOG-UHFFFAOYSA-N
XLogP2.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662502
1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 102662508
1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662516
1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336954
1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662555
1-[2-(2-methylimidazol-1-yl)ethyl]indole-6-carboxylic acid
CID 63749665
1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine
CID 61493848
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662518
1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662618
1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46971443
1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroindol-6-amine
CID 54961512
1-(1-butyl-2,3-dihydroindol-5-yl)ethanone
CID 102662303

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The IUPAC name of 1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone (CID 102662559) is 1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The canonical SMILES for 1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone is CC(=O)c1ccc2c(c1)CCCN2CCn1ccnc1C.
What is the InChIKey of 1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The InChIKey is MRLKSCNKMGOLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(21)15-5-6-17-16(12-15)4-3-8-20(17)11-10-19-9-7-18-14(19)2/h5-7,9,12H,3-4,8,10-11H2,1-2H3.
What are the key properties of 1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone?
1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone has a molecular weight of 283.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone is sourced from PubChem (CID 102662559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).