1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one

C16H24N2O2 — CID 82341205

IUPAC1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCc2cc(C(O)C(C)N)ccc21
InChIInChI=1S/C16H24N2O2/c1-10(2)16(20)18-8-4-5-12-9-13(6-7-14(12)18)15(19)11(3)17/h6-7,9-11,15,19H,4-5,8,17H2,1-3H3
InChIKeyURQGXPDKISXHSV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.00
Rot. Bonds3

About 1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one

1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one (PubChem CID 82341205) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
PubChem CID82341205
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCc2cc(C(O)C(C)N)ccc21
InChIInChI=1S/C16H24N2O2/c1-10(2)16(20)18-8-4-5-12-9-13(6-7-14(12)18)15(19)11(3)17/h6-7,9-11,15,19H,4-5,8,17H2,1-3H3
InChIKeyURQGXPDKISXHSV-UHFFFAOYSA-N
XLogP2.00
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

2-bromo-2-methyl-1-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one
CID 82258965
1-[6-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 28803858
1-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 46954781
1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 92553059
1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259757
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 120560186
1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30373580
1-[6-[(1R)-1-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 92553061
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclopentanecarboxamide
CID 7656708
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride
CID 119286836
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one (CID 82341205) is 1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCCc2cc(C(O)C(C)N)ccc21.
What is the InChIKey of 1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one?
The InChIKey is URQGXPDKISXHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)16(20)18-8-4-5-12-9-13(6-7-14(12)18)15(19)11(3)17/h6-7,9-11,15,19H,4-5,8,17H2,1-3H3.
What are the key properties of 1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one?
1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-amino-1-hydroxypropyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 82341205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).