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

C21H26N2O2 — CID 18333053

IUPAC1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
SMILESCN(C)CC1Cc2ccccc2N(C(=O)CCc2ccc(O)cc2)C1
InChIInChI=1S/C21H26N2O2/c1-22(2)14-17-13-18-5-3-4-6-20(18)23(15-17)21(25)12-9-16-7-10-19(24)11-8-16/h3-8,10-11,17,24H,9,12-15H2,1-2H3
InChIKeyAAADEMLXLYFTIE-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.09
Rot. Bonds5

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

1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-hydroxyphenyl)propan-1-one (PubChem CID 18333053) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
PubChem CID18333053
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
SMILESCN(C)CC1Cc2ccccc2N(C(=O)CCc2ccc(O)cc2)C1
InChIInChI=1S/C21H26N2O2/c1-22(2)14-17-13-18-5-3-4-6-20(18)23(15-17)21(25)12-9-16-7-10-19(24)11-8-16/h3-8,10-11,17,24H,9,12-15H2,1-2H3
InChIKeyAAADEMLXLYFTIE-UHFFFAOYSA-N
XLogP3.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-hydroxyphenyl)propan-1-one?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-hydroxyphenyl)propan-1-one (CID 18333053) is 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-hydroxyphenyl)propan-1-one?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-hydroxyphenyl)propan-1-one is CN(C)CC1Cc2ccccc2N(C(=O)CCc2ccc(O)cc2)C1.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-hydroxyphenyl)propan-1-one?
The InChIKey is AAADEMLXLYFTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-22(2)14-17-13-18-5-3-4-6-20(18)23(15-17)21(25)12-9-16-7-10-19(24)11-8-16/h3-8,10-11,17,24H,9,12-15H2,1-2H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-hydroxyphenyl)propan-1-one?
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-hydroxyphenyl)propan-1-one has a molecular weight of 338.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 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-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 18333053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).