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

C16H22N2O — CID 55196224

IUPAC2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC1Cc2ccccc2N(C(=O)C(C)(N)C2CC2)C1
InChIInChI=1S/C16H22N2O/c1-11-9-12-5-3-4-6-14(12)18(10-11)15(19)16(2,17)13-7-8-13/h3-6,11,13H,7-10,17H2,1-2H3
InChIKeyFFDGVVBORXBETF-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.34
Rot. Bonds2

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

2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 55196224) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID55196224
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC1Cc2ccccc2N(C(=O)C(C)(N)C2CC2)C1
InChIInChI=1S/C16H22N2O/c1-11-9-12-5-3-4-6-14(12)18(10-11)15(19)16(2,17)13-7-8-13/h3-6,11,13H,7-10,17H2,1-2H3
InChIKeyFFDGVVBORXBETF-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 55196224) is 2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is CC1Cc2ccccc2N(C(=O)C(C)(N)C2CC2)C1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is FFDGVVBORXBETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-9-12-5-3-4-6-14(12)18(10-11)15(19)16(2,17)13-7-8-13/h3-6,11,13H,7-10,17H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 258.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 55196224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).