2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C16H22N2O2 — CID 60951388

IUPAC2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCOc1cccc2c1N(C(=O)C(C)(N)C1CC1)CCC2
InChIInChI=1S/C16H22N2O2/c1-16(17,12-8-9-12)15(19)18-10-4-6-11-5-3-7-13(20-2)14(11)18/h3,5,7,12H,4,6,8-10,17H2,1-2H3
InChIKeyDFJGEHBYXMUVIV-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.10
Rot. Bonds3

About 2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 60951388) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID60951388
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCOc1cccc2c1N(C(=O)C(C)(N)C1CC1)CCC2
InChIInChI=1S/C16H22N2O2/c1-16(17,12-8-9-12)15(19)18-10-4-6-11-5-3-7-13(20-2)14(11)18/h3,5,7,12H,4,6,8-10,17H2,1-2H3
InChIKeyDFJGEHBYXMUVIV-UHFFFAOYSA-N
XLogP2.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopropyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65466415
2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 63681436
1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950342
(4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60951513
3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 54876637
(1-aminocyclohexyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60951658
2-(1-aminocyclopentyl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64677547
(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129819
(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056
2-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 54876805
(2-ethyl-1,3-thiazol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 48575972
2,3-dihydro-1-benzofuran-2-yl-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47027785

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 60951388) is 2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is COc1cccc2c1N(C(=O)C(C)(N)C1CC1)CCC2.
What is the InChIKey of 2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is DFJGEHBYXMUVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(17,12-8-9-12)15(19)18-10-4-6-11-5-3-7-13(20-2)14(11)18/h3,5,7,12H,4,6,8-10,17H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 274.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 60951388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).