1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one

C16H22N2O2 — CID 82341227

IUPAC1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCCc2cc(C(=O)CN)ccc21
InChIInChI=1S/C16H22N2O2/c1-11(2)8-16(20)18-7-3-4-12-9-13(15(19)10-17)5-6-14(12)18/h5-6,9,11H,3-4,7-8,10,17H2,1-2H3
InChIKeyHDMFPXCCGCDSSD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.15
Rot. Bonds4

About 1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one

1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one (PubChem CID 82341227) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one
PubChem CID82341227
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCCc2cc(C(=O)CN)ccc21
InChIInChI=1S/C16H22N2O2/c1-11(2)8-16(20)18-7-3-4-12-9-13(15(19)10-17)5-6-14(12)18/h5-6,9,11H,3-4,7-8,10,17H2,1-2H3
InChIKeyHDMFPXCCGCDSSD-UHFFFAOYSA-N
XLogP2.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82340988
1-[5-(2-bromoacetyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82258608
1-[6-[3-(3,4-dichlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one
CID 159263251
3-methyl-1-[6-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 158471826
1-[6-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 28803858
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 114873454
3-methyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 134060030
N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(trifluoromethyl)benzamide
CID 142580229
2-bromo-3-methyl-1-[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 82258869
N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134031013
5-[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]pentanoic acid
CID 95414286
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157597

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one (CID 82341227) is 1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCCc2cc(C(=O)CN)ccc21.
What is the InChIKey of 1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one?
The InChIKey is HDMFPXCCGCDSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)8-16(20)18-7-3-4-12-9-13(15(19)10-17)5-6-14(12)18/h5-6,9,11H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of 1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one?
1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one has a molecular weight of 274.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 82341227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).