2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

C17H24N2O3 — CID 111423250

IUPAC2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESC=CCN(CCO)CC(=O)N1CCCc2cc(OC)ccc21
InChIInChI=1S/C17H24N2O3/c1-3-8-18(10-11-20)13-17(21)19-9-4-5-14-12-15(22-2)6-7-16(14)19/h3,6-7,12,20H,1,4-5,8-11,13H2,2H3
InChIKeyBFECYPZBTUQBGP-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.45
Rot. Bonds7

About 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 111423250) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID111423250
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESC=CCN(CCO)CC(=O)N1CCCc2cc(OC)ccc21
InChIInChI=1S/C17H24N2O3/c1-3-8-18(10-11-20)13-17(21)19-9-4-5-14-12-15(22-2)6-7-16(14)19/h3,6-7,12,20H,1,4-5,8-11,13H2,2H3
InChIKeyBFECYPZBTUQBGP-UHFFFAOYSA-N
XLogP1.45
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxypropyl(propan-2-yl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 111107882
3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide
CID 18127355
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
2-(1-aminocyclopentyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64679011
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 36540944
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958524
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 18131392
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 18122079
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 55468248
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030
(2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 42929684

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 111423250) is 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is C=CCN(CCO)CC(=O)N1CCCc2cc(OC)ccc21.
What is the InChIKey of 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is BFECYPZBTUQBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-8-18(10-11-20)13-17(21)19-9-4-5-14-12-15(22-2)6-7-16(14)19/h3,6-7,12,20H,1,4-5,8-11,13H2,2H3.
What are the key properties of 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 304.39 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 111423250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).