1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride

C22H24Cl2N2O — CID 159047253

IUPAC1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride
SMILESCN(C)CCCCC(=O)c1cc(-c2ccccc2)nc2cc(Cl)ccc12.Cl
InChIInChI=1S/C22H23ClN2O.ClH/c1-25(2)13-7-6-10-22(26)19-15-20(16-8-4-3-5-9-16)24-21-14-17(23)11-12-18(19)21;/h3-5,8-9,11-12,14-15H,6-7,10,13H2,1-2H3;1H
InChIKeyDGPXCQXOQVMFBE-UHFFFAOYSA-N
MW403.35 g/mol
LogP5.89
Rot. Bonds7

About 1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride

1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride (PubChem CID 159047253) has the molecular formula C22H24Cl2N2O and a molecular weight of 403.35 g/mol. Its IUPAC name is 1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride
PubChem CID159047253
Molecular FormulaC22H24Cl2N2O
Molecular Weight403.35 g/mol
Exact Mass402.13
IUPAC Name1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride
SMILESCN(C)CCCCC(=O)c1cc(-c2ccccc2)nc2cc(Cl)ccc12.Cl
InChIInChI=1S/C22H23ClN2O.ClH/c1-25(2)13-7-6-10-22(26)19-15-20(16-8-4-3-5-9-16)24-21-14-17(23)11-12-18(19)21;/h3-5,8-9,11-12,14-15H,6-7,10,13H2,1-2H3;1H
InChIKeyDGPXCQXOQVMFBE-UHFFFAOYSA-N
XLogP5.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.35
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride
CID 86272158
4-(dimethylamino)-1-[2-(3,4,5-trifluorophenyl)quinolin-4-yl]butan-1-one
CID 159340286
N-[3-[bis(methylsulfonyl)amino]propyl]-7-chloro-2-phenylquinoline-4-carboxamide;hydrochloride
CID 90462549
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylquinoline-4-carboxamide
CID 43963620
1-(2-phenylquinolin-4-yl)heptan-1-one
CID 159379638
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 43958599
4-(dimethylamino)-1-[2-(2,3,4,5,6-pentafluorophenyl)quinolin-4-yl]butan-1-one
CID 160902489
4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one
CID 165107845
7-chloro-2-phenylquinoline-4-carboxylic acid;deuterium monohydride;methyl 7-chloro-2-phenylquinoline-4-carboxylate
CID 159549627
4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one
CID 158550391
1-(5-chloro-2-hydroxyphenyl)-5-(dimethylamino)pentan-1-one
CID 160849157
6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 162676927

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride?
The IUPAC name of 1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride (CID 159047253) is 1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride.
What is the SMILES notation for 1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride?
The canonical SMILES for 1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride is CN(C)CCCCC(=O)c1cc(-c2ccccc2)nc2cc(Cl)ccc12.Cl.
What is the InChIKey of 1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride?
The InChIKey is DGPXCQXOQVMFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O.ClH/c1-25(2)13-7-6-10-22(26)19-15-20(16-8-4-3-5-9-16)24-21-14-17(23)11-12-18(19)21;/h3-5,8-9,11-12,14-15H,6-7,10,13H2,1-2H3;1H.
What are the key properties of 1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride?
1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride has a molecular weight of 403.35 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride is sourced from PubChem (CID 159047253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).