1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone

C16H18ClN3O — CID 102662555

IUPAC1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCCN2Cc1ncc(Cl)n1C
InChIInChI=1S/C16H18ClN3O/c1-11(21)12-5-6-14-13(8-12)4-3-7-20(14)10-16-18-9-15(17)19(16)2/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyLIJPIEZBPSEYRZ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.23
Rot. Bonds3

About 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone

1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone (PubChem CID 102662555) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
PubChem CID102662555
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCCN2Cc1ncc(Cl)n1C
InChIInChI=1S/C16H18ClN3O/c1-11(21)12-5-6-14-13(8-12)4-3-7-20(14)10-16-18-9-15(17)19(16)2/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyLIJPIEZBPSEYRZ-UHFFFAOYSA-N
XLogP3.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone with MolForge

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Related Compounds

1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662618
1-[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662502
1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662516
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662518
1-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662559
1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 102662508
1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662471
1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662492
1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one
CID 39104414
1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662460
1-(1-butyl-2,3-dihydroindol-5-yl)ethanone
CID 102662303
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The IUPAC name of 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone (CID 102662555) is 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone.
What is the SMILES notation for 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The canonical SMILES for 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone is CC(=O)c1ccc2c(c1)CCCN2Cc1ncc(Cl)n1C.
What is the InChIKey of 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The InChIKey is LIJPIEZBPSEYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11(21)12-5-6-14-13(8-12)4-3-7-20(14)10-16-18-9-15(17)19(16)2/h5-6,8-9H,3-4,7,10H2,1-2H3.
What are the key properties of 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone?
1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone has a molecular weight of 303.79 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone is sourced from PubChem (CID 102662555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).