1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone

C16H17NO — CID 82450648

IUPAC1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone
SMILESCC(=O)c1c2c(nc3c(C)c(C)ccc13)CCC2
InChIInChI=1S/C16H17NO/c1-9-7-8-13-15(11(3)18)12-5-4-6-14(12)17-16(13)10(9)2/h7-8H,4-6H2,1-3H3
InChIKeyHCAKGPAZGHVLCJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.54
Rot. Bonds1

About 1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone

1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone (PubChem CID 82450648) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone
PubChem CID82450648
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone
SMILESCC(=O)c1c2c(nc3c(C)c(C)ccc13)CCC2
InChIInChI=1S/C16H17NO/c1-9-7-8-13-15(11(3)18)12-5-4-6-14(12)17-16(13)10(9)2/h7-8H,4-6H2,1-3H3
InChIKeyHCAKGPAZGHVLCJ-UHFFFAOYSA-N
XLogP3.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 60985060
1-(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone
CID 82451979
1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone
CID 82451324
1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid
CID 63462653
N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine
CID 82450662
2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
CID 82450693
1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone
CID 13406383
(6-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanol
CID 82451718
6-fluoro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62196283
2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile
CID 82451706
7-bromo-5-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 55192211
6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 114257958

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone?
The IUPAC name of 1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone (CID 82450648) is 1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone.
What is the SMILES notation for 1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone?
The canonical SMILES for 1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone is CC(=O)c1c2c(nc3c(C)c(C)ccc13)CCC2.
What is the InChIKey of 1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone?
The InChIKey is HCAKGPAZGHVLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-9-7-8-13-15(11(3)18)12-5-4-6-14(12)17-16(13)10(9)2/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone?
1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone has a molecular weight of 239.32 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone is sourced from PubChem (CID 82450648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).