5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[2-(2-oxo-1H-pyridin-4-yl)quinolin-4-yl]ethyl]benzamide

C28H30N4O3 — CID 172514516

IUPAC5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[2-(2-oxo-1H-pyridin-4-yl)quinolin-4-yl]ethyl]benzamide
SMILESCc1ccc(OCCN(C)C)cc1C(=O)N[C@H](C)c1cc(-c2cc[nH]c(=O)c2)nc2ccccc12
InChIInChI=1S/C28H30N4O3/c1-18-9-10-21(35-14-13-32(3)4)16-23(18)28(34)30-19(2)24-17-26(20-11-12-29-27(33)15-20)31-25-8-6-5-7-22(24)25/h5-12,15-17,19H,13-14H2,1-4H3,(H,29,33)(H,30,34)/t19-/m1/s1
InChIKeyHOBMLOXUDFQKFQ-LJQANCHMSA-N
MW470.57 g/mol
LogP4.33
Rot. Bonds8

About 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[2-(2-oxo-1H-pyridin-4-yl)quinolin-4-yl]ethyl]benzamide

5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[2-(2-oxo-1H-pyridin-4-yl)quinolin-4-yl]ethyl]benzamide (PubChem CID 172514516) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[2-(2-oxo-1H-pyridin-4-yl)quinolin-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[2-(2-oxo-1H-pyridin-4-yl)quinolin-4-yl]ethyl]benzamide
PubChem CID172514516
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[2-(2-oxo-1H-pyridin-4-yl)quinolin-4-yl]ethyl]benzamide
SMILESCc1ccc(OCCN(C)C)cc1C(=O)N[C@H](C)c1cc(-c2cc[nH]c(=O)c2)nc2ccccc12
InChIInChI=1S/C28H30N4O3/c1-18-9-10-21(35-14-13-32(3)4)16-23(18)28(34)30-19(2)24-17-26(20-11-12-29-27(33)15-20)31-25-8-6-5-7-22(24)25/h5-12,15-17,19H,13-14H2,1-4H3,(H,29,33)(H,30,34)/t19-/m1/s1
InChIKeyHOBMLOXUDFQKFQ-LJQANCHMSA-N
XLogP4.33
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(dimethylamino)ethoxy]-N-[(1R)-1-[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]ethyl]-2-methylbenzamide
CID 172514543
N-[(1R)-1-[2-(1-cyclobutylpyrazol-4-yl)quinolin-4-yl]ethyl]-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide
CID 172514632
tert-butyl N-[[3-[[(1R)-1-[2-[4-(dimethylcarbamoyl)-1H-pyrrol-2-yl]quinolin-4-yl]ethyl]carbamoyl]-4-methylphenyl]methyl]carbamate
CID 171792171
methyl 1-methyl-4-[4-[(1R)-1-[[2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]ethyl]quinolin-2-yl]pyrrole-2-carboxylate
CID 171792090
N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide
CID 171792284
2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 3274863
N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide
CID 171792268
N-[1-(2-chloroquinolin-4-yl)ethyl]-5-cyano-2-methylbenzamide
CID 171792372
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide
CID 171792039
N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine
CID 71734010
N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
CID 112818191

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[2-(2-oxo-1H-pyridin-4-yl)quinolin-4-yl]ethyl]benzamide?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[2-(2-oxo-1H-pyridin-4-yl)quinolin-4-yl]ethyl]benzamide (CID 172514516) is 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[2-(2-oxo-1H-pyridin-4-yl)quinolin-4-yl]ethyl]benzamide.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[2-(2-oxo-1H-pyridin-4-yl)quinolin-4-yl]ethyl]benzamide?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[2-(2-oxo-1H-pyridin-4-yl)quinolin-4-yl]ethyl]benzamide is Cc1ccc(OCCN(C)C)cc1C(=O)N[C@H](C)c1cc(-c2cc[nH]c(=O)c2)nc2ccccc12.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[2-(2-oxo-1H-pyridin-4-yl)quinolin-4-yl]ethyl]benzamide?
The InChIKey is HOBMLOXUDFQKFQ-LJQANCHMSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-18-9-10-21(35-14-13-32(3)4)16-23(18)28(34)30-19(2)24-17-26(20-11-12-29-27(33)15-20)31-25-8-6-5-7-22(24)25/h5-12,15-17,19H,13-14H2,1-4H3,(H,29,33)(H,30,34)/t19-/m1/s1.
What are the key properties of 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[2-(2-oxo-1H-pyridin-4-yl)quinolin-4-yl]ethyl]benzamide?
5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[2-(2-oxo-1H-pyridin-4-yl)quinolin-4-yl]ethyl]benzamide has a molecular weight of 470.57 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-[2-(2-oxo-1H-pyridin-4-yl)quinolin-4-yl]ethyl]benzamide is sourced from PubChem (CID 172514516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).