N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide

C19H23N7O — CID 51123516

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)NCCN1CCCc2ccccc21)c1ncnc2nc[nH]c12
InChIInChI=1S/C19H23N7O/c1-25(19-17-18(22-12-21-17)23-13-24-19)11-16(27)20-8-10-26-9-4-6-14-5-2-3-7-15(14)26/h2-3,5,7,12-13H,4,6,8-11H2,1H3,(H,20,27)(H,21,22,23,24)
InChIKeyORRSIIXQKZDOTL-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.36
Rot. Bonds6

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 51123516) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID51123516
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)NCCN1CCCc2ccccc21)c1ncnc2nc[nH]c12
InChIInChI=1S/C19H23N7O/c1-25(19-17-18(22-12-21-17)23-13-24-19)11-16(27)20-8-10-26-9-4-6-14-5-2-3-7-15(14)26/h2-3,5,7,12-13H,4,6,8-11H2,1H3,(H,20,27)(H,21,22,23,24)
InChIKeyORRSIIXQKZDOTL-UHFFFAOYSA-N
XLogP1.36
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-benzylsulfanylethyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51113708
2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
CID 97212185
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 166409827
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446
N-[(3-cyanophenyl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51089069
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide
CID 56869134
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994643
2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 94078674
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51092559
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide
CID 47381708
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 23607928
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 97314495

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 51123516) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide is CN(CC(=O)NCCN1CCCc2ccccc21)c1ncnc2nc[nH]c12.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is ORRSIIXQKZDOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-25(19-17-18(22-12-21-17)23-13-24-19)11-16(27)20-8-10-26-9-4-6-14-5-2-3-7-15(14)26/h2-3,5,7,12-13H,4,6,8-11H2,1H3,(H,20,27)(H,21,22,23,24).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 365.44 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 51123516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).