[4-(2-hydroxyethyl)piperazin-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone;hydrochloride

C26H26ClN3O2 — CID 18774674

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone;hydrochloride
SMILESCl.O=C(c1cc(-c2cccc3ccccc23)nc2ccccc12)N1CCN(CCO)CC1
InChIInChI=1S/C26H25N3O2.ClH/c30-17-16-28-12-14-29(15-13-28)26(31)23-18-25(27-24-11-4-3-9-22(23)24)21-10-5-7-19-6-1-2-8-20(19)21;/h1-11,18,30H,12-17H2;1H
InChIKeyWNAZGDFWKIWMCE-UHFFFAOYSA-N
MW447.97 g/mol
LogP4.23
Rot. Bonds4

About [4-(2-hydroxyethyl)piperazin-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone;hydrochloride

[4-(2-hydroxyethyl)piperazin-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone;hydrochloride (PubChem CID 18774674) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone;hydrochloride
PubChem CID18774674
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone;hydrochloride
SMILESCl.O=C(c1cc(-c2cccc3ccccc23)nc2ccccc12)N1CCN(CCO)CC1
InChIInChI=1S/C26H25N3O2.ClH/c30-17-16-28-12-14-29(15-13-28)26(31)23-18-25(27-24-11-4-3-9-22(23)24)21-10-5-7-19-6-1-2-8-20(19)21;/h1-11,18,30H,12-17H2;1H
InChIKeyWNAZGDFWKIWMCE-UHFFFAOYSA-N
XLogP4.23
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Rosettacin
CID 24813913
Pyridine amide, 33
CID 44237007
N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 753478
N-benzyl-2-phenylquinoline-4-carboxamide
CID 667698
(2-Phenyl-quinolin-4-yl)-pyrrolidin-1-yl-methanone
CID 757669
6-{[1-(Anthracen-9-Ylcarbonyl)piperidin-4-Yl]methyl}-2-Methylquinoline
CID 45100494
4-(3-Methylisoquinolin-1-Yl)-N-[2-(Morpholin-4-Yl)ethyl]benzamide
CID 56962332
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(2-quinolyl)ethane-1,2-dione
CID 5280263
[(1R)-3-methyl-1-[[(2S)-3-naphthalen-1-yl-2-(quinoline-2-carbonylamino)propanoyl]amino]butyl]boronic acid
CID 44583213
[6-Methyl-2-(4-methylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 698716
2-(4-Methylphenyl)-4-[(4-methyl-1-piperidinyl)carbonyl]quinoline
CID 903821
2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 2105531

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone;hydrochloride?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone;hydrochloride (CID 18774674) is [4-(2-hydroxyethyl)piperazin-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone;hydrochloride?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone;hydrochloride is Cl.O=C(c1cc(-c2cccc3ccccc23)nc2ccccc12)N1CCN(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone;hydrochloride?
The InChIKey is WNAZGDFWKIWMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2.ClH/c30-17-16-28-12-14-29(15-13-28)26(31)23-18-25(27-24-11-4-3-9-22(23)24)21-10-5-7-19-6-1-2-8-20(19)21;/h1-11,18,30H,12-17H2;1H.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone;hydrochloride?
[4-(2-hydroxyethyl)piperazin-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone;hydrochloride has a molecular weight of 447.97 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 18774674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).