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

C20H24N2O — CID 109024285

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one
SMILESO=C(CCNCCc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C20H24N2O/c23-20(13-15-21-14-12-17-7-2-1-3-8-17)22-16-6-10-18-9-4-5-11-19(18)22/h1-5,7-9,11,21H,6,10,12-16H2
InChIKeyHUZITWBCJOIBEY-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.19
Rot. Bonds6

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

1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one (PubChem CID 109024285) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one
PubChem CID109024285
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one
SMILESO=C(CCNCCc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C20H24N2O/c23-20(13-15-21-14-12-17-7-2-1-3-8-17)22-16-6-10-18-9-4-5-11-19(18)22/h1-5,7-9,11,21H,6,10,12-16H2
InChIKeyHUZITWBCJOIBEY-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone
CID 3191782
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one
CID 109025652
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 109023365
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide
CID 154773989
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034949
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethanone
CID 68969181
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 53125842
4-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]methyl]benzoic acid
CID 122035247

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one (CID 109024285) is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one is O=C(CCNCCc1ccccc1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one?
The InChIKey is HUZITWBCJOIBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c23-20(13-15-21-14-12-17-7-2-1-3-8-17)22-16-6-10-18-9-4-5-11-19(18)22/h1-5,7-9,11,21H,6,10,12-16H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one has a molecular weight of 308.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one is sourced from PubChem (CID 109024285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).