1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

C15H21NO2 — CID 82263716

IUPAC1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCc2ccc(C(O)CC)cc21
InChIInChI=1S/C15H21NO2/c1-3-14(17)12-8-7-11-6-5-9-16(13(11)10-12)15(18)4-2/h7-8,10,14,17H,3-6,9H2,1-2H3
InChIKeyQERLVEYVCBBMCN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.82
Rot. Bonds3

About 1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one (PubChem CID 82263716) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
PubChem CID82263716
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCc2ccc(C(O)CC)cc21
InChIInChI=1S/C15H21NO2/c1-3-14(17)12-8-7-11-6-5-9-16(13(11)10-12)15(18)4-2/h7-8,10,14,17H,3-6,9H2,1-2H3
InChIKeyQERLVEYVCBBMCN-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 4005404
3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27604546
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)cyclopropanecarboxamide
CID 40829046
2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile
CID 169337813
1-[6-[(1S)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 51593609
1-[6-[(1S)-1-hydroxy-2-[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 51501144
1-[6-[(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 51872122
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 27604773
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide
CID 154934520
1-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-3-thiophen-2-ylurea
CID 30372226
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)naphthalene-1-carboxamide
CID 16835101

Frequently Asked Questions

What is the IUPAC name of 1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The IUPAC name of 1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one (CID 82263716) is 1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one.
What is the SMILES notation for 1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The canonical SMILES for 1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one is CCC(=O)N1CCCc2ccc(C(O)CC)cc21.
What is the InChIKey of 1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The InChIKey is QERLVEYVCBBMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-14(17)12-8-7-11-6-5-9-16(13(11)10-12)15(18)4-2/h7-8,10,14,17H,3-6,9H2,1-2H3.
What are the key properties of 1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one is sourced from PubChem (CID 82263716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).