3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one

C19H22N2O — CID 119951464

IUPAC3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
SMILESCc1ccc2c(c1)N(C(=O)CC(N)c1ccccc1)CCC2
InChIInChI=1S/C19H22N2O/c1-14-9-10-16-8-5-11-21(18(16)12-14)19(22)13-17(20)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13,20H2,1H3
InChIKeyKQEJWLPCACFMRU-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.36
Rot. Bonds3

About 3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one

3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one (PubChem CID 119951464) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
PubChem CID119951464
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
SMILESCc1ccc2c(c1)N(C(=O)CC(N)c1ccccc1)CCC2
InChIInChI=1S/C19H22N2O/c1-14-9-10-16-8-5-11-21(18(16)12-14)19(22)13-17(20)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13,20H2,1H3
InChIKeyKQEJWLPCACFMRU-UHFFFAOYSA-N
XLogP3.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one with MolForge

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Related Compounds

1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one
CID 112762073
3-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-phenylpropanamide
CID 119950519
7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
CID 119783373
3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 62964343
2-amino-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 131036223
3-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-3-phenylpropan-1-one;dihydrochloride
CID 119953711
3-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119685859
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 46817528
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357
2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976101
2-anilino-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119685862
2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
CID 83753824

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one (CID 119951464) is 3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one is Cc1ccc2c(c1)N(C(=O)CC(N)c1ccccc1)CCC2.
What is the InChIKey of 3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one?
The InChIKey is KQEJWLPCACFMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-9-10-16-8-5-11-21(18(16)12-14)19(22)13-17(20)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13,20H2,1H3.
What are the key properties of 3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one?
3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one has a molecular weight of 294.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 119951464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).