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

C28H32N2O2 — CID 70205812

IUPAC1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one
SMILESCN(C)CC1Cc2ccccc2N(C(=O)CCc2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C28H32N2O2/c1-29(2)19-24-18-25-10-6-7-11-27(25)30(20-24)28(31)17-14-22-12-15-26(16-13-22)32-21-23-8-4-3-5-9-23/h3-13,15-16,24H,14,17-21H2,1-2H3
InChIKeyICPOIUVJLWTIOC-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.97
Rot. Bonds8

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

1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one (PubChem CID 70205812) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one
PubChem CID70205812
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one
SMILESCN(C)CC1Cc2ccccc2N(C(=O)CCc2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C28H32N2O2/c1-29(2)19-24-18-25-10-6-7-11-27(25)30(20-24)28(31)17-14-22-12-15-26(16-13-22)32-21-23-8-4-3-5-9-23/h3-13,15-16,24H,14,17-21H2,1-2H3
InChIKeyICPOIUVJLWTIOC-UHFFFAOYSA-N
XLogP4.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 18333101
tert-butyl N-[2-[1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]ethyl]carbamate
CID 146146261
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]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone;oxalic acid
CID 18332998
3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 15542921
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-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone
CID 2339721
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-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 15542917
1-(3-phenylpropanoyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine-3-carboxylic acid
CID 57226311
N,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine
CID 18333060
1-(4-phenylmethoxyphenyl)pentan-3-one
CID 18798710

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one (CID 70205812) is 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one is CN(C)CC1Cc2ccccc2N(C(=O)CCc2ccc(OCc3ccccc3)cc2)C1.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one?
The InChIKey is ICPOIUVJLWTIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-29(2)19-24-18-25-10-6-7-11-27(25)30(20-24)28(31)17-14-22-12-15-26(16-13-22)32-21-23-8-4-3-5-9-23/h3-13,15-16,24H,14,17-21H2,1-2H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one?
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one has a molecular weight of 428.58 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one is sourced from PubChem (CID 70205812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).