N'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride

C21H25Cl2N3 — CID 86272158

IUPACN'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride
SMILESCN(C)CCN(C)Cc1cc(-c2ccccc2)nc2cc(Cl)ccc12.Cl
InChIInChI=1S/C21H24ClN3.ClH/c1-24(2)11-12-25(3)15-17-13-20(16-7-5-4-6-8-16)23-21-14-18(22)9-10-19(17)21;/h4-10,13-14H,11-12,15H2,1-3H3;1H
InChIKeyQTTPVEMCISZVRE-UHFFFAOYSA-N
MW390.36 g/mol
LogP4.97
Rot. Bonds6

About N'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride

N'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride (PubChem CID 86272158) has the molecular formula C21H25Cl2N3 and a molecular weight of 390.36 g/mol. Its IUPAC name is N'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride
PubChem CID86272158
Molecular FormulaC21H25Cl2N3
Molecular Weight390.36 g/mol
Exact Mass389.14
IUPAC NameN'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride
SMILESCN(C)CCN(C)Cc1cc(-c2ccccc2)nc2cc(Cl)ccc12.Cl
InChIInChI=1S/C21H24ClN3.ClH/c1-24(2)11-12-25(3)15-17-13-20(16-7-5-4-6-8-16)23-21-14-18(22)9-10-19(17)21;/h4-10,13-14H,11-12,15H2,1-3H3;1H
InChIKeyQTTPVEMCISZVRE-UHFFFAOYSA-N
XLogP4.97
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride with MolForge

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Related Compounds

1-(7-chloro-2-phenylquinolin-4-yl)-5-(dimethylamino)pentan-1-one;hydrochloride
CID 159047253
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 43958599
N-[3-[bis(methylsulfonyl)amino]propyl]-7-chloro-2-phenylquinoline-4-carboxamide;hydrochloride
CID 90462549
1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79078383
7-chloro-2-phenyl-4-pyridin-3-ylquinoline
CID 162750948
7-chloro-2-phenylquinoline-4-carboxylic acid;deuterium monohydride;methyl 7-chloro-2-phenylquinoline-4-carboxylate
CID 159549627
5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one
CID 162750794
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylquinoline-4-carboxamide
CID 43963620
1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine
CID 86273339
[2-(4-chlorophenyl)quinolin-4-yl]methanamine;hydrochloride
CID 82025623
methyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate
CID 171492180
4-chloro-2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol;bis(2,2,2-trifluoroacetic acid)
CID 46907950

Frequently Asked Questions

What is the IUPAC name of N'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride (CID 86272158) is N'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride is CN(C)CCN(C)Cc1cc(-c2ccccc2)nc2cc(Cl)ccc12.Cl.
What is the InChIKey of N'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride?
The InChIKey is QTTPVEMCISZVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3.ClH/c1-24(2)11-12-25(3)15-17-13-20(16-7-5-4-6-8-16)23-21-14-18(22)9-10-19(17)21;/h4-10,13-14H,11-12,15H2,1-3H3;1H.
What are the key properties of N'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride?
N'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride has a molecular weight of 390.36 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 86272158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).