1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one

C22H28N2O — CID 18333101

IUPAC1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)N1CC(CN(C)C)Cc2ccccc21
InChIInChI=1S/C22H28N2O/c1-17-8-4-5-9-19(17)12-13-22(25)24-16-18(15-23(2)3)14-20-10-6-7-11-21(20)24/h4-11,18H,12-16H2,1-3H3
InChIKeyHTXKPDHQALMSMV-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.69
Rot. Bonds5

About 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one

1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one (PubChem CID 18333101) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one
PubChem CID18333101
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)N1CC(CN(C)C)Cc2ccccc21
InChIInChI=1S/C22H28N2O/c1-17-8-4-5-9-19(17)12-13-22(25)24-16-18(15-23(2)3)14-20-10-6-7-11-21(20)24/h4-11,18H,12-16H2,1-3H3
InChIKeyHTXKPDHQALMSMV-UHFFFAOYSA-N
XLogP3.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[2-(4-methylphenyl)phenyl]propan-1-one
CID 139836707
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one
CID 70205812
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-[(E)-2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]propan-1-one
CID 18333079
3-(2-methylphenyl)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-one
CID 119521252
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 15542905
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 79411304
3-(1,3-benzodioxol-5-yl)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one;oxalic acid
CID 70237674
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone;oxalic acid
CID 18332998
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylprop-2-en-1-one;oxalic acid
CID 160858708
(2R)-2-amino-1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 20712075
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one
CID 18735430

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one (CID 18333101) is 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one is Cc1ccccc1CCC(=O)N1CC(CN(C)C)Cc2ccccc21.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one?
The InChIKey is HTXKPDHQALMSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17-8-4-5-9-19(17)12-13-22(25)24-16-18(15-23(2)3)14-20-10-6-7-11-21(20)24/h4-11,18H,12-16H2,1-3H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one?
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one has a molecular weight of 336.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 18333101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).