1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one

C14H19NO — CID 39104414

IUPAC1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one
SMILESCCC(=O)c1ccc2c(c1)CCCN2CC
InChIInChI=1S/C14H19NO/c1-3-14(16)12-7-8-13-11(10-12)6-5-9-15(13)4-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyMFQINCGWAPBVNH-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.05
Rot. Bonds3

About 1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one

1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one (PubChem CID 39104414) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one
PubChem CID39104414
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one
SMILESCCC(=O)c1ccc2c(c1)CCCN2CC
InChIInChI=1S/C14H19NO/c1-3-14(16)12-7-8-13-11(10-12)6-5-9-15(13)4-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyMFQINCGWAPBVNH-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
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-(4-ethyl-2,3-dihydro-1,4-benzoxazin-7-yl)propan-1-one
CID 39104157
methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
CID 134691949
1-(1-pent-3-ynyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 102662508
6-ethenyl-1-ethyl-3,4-dihydro-2H-quinoline
CID 170444076
ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 60735402
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-(methylamino)ethanone
CID 82118496
1-[1-(oxan-4-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662492
1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline
CID 129301440
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one?
The IUPAC name of 1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one (CID 39104414) is 1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one.
What is the SMILES notation for 1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one?
The canonical SMILES for 1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one is CCC(=O)c1ccc2c(c1)CCCN2CC.
What is the InChIKey of 1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one?
The InChIKey is MFQINCGWAPBVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-14(16)12-7-8-13-11(10-12)6-5-9-15(13)4-2/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one?
1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one has a molecular weight of 217.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one is sourced from PubChem (CID 39104414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).