4-(7-chloroquinolin-4-yl)-2-[[2-(1-methylpyrrolidin-2-yl)ethylamino]methyl]phenol

C23H26ClN3O — CID 135971338

IUPAC4-(7-chloroquinolin-4-yl)-2-[[2-(1-methylpyrrolidin-2-yl)ethylamino]methyl]phenol
SMILESCN1CCCC1CCNCc1cc(-c2ccnc3cc(Cl)ccc23)ccc1O
InChIInChI=1S/C23H26ClN3O/c1-27-12-2-3-19(27)8-10-25-15-17-13-16(4-7-23(17)28)20-9-11-26-22-14-18(24)5-6-21(20)22/h4-7,9,11,13-14,19,25,28H,2-3,8,10,12,15H2,1H3
InChIKeyHFDHFUIYFUJYFA-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.83
Rot. Bonds6

About 4-(7-chloroquinolin-4-yl)-2-[[2-(1-methylpyrrolidin-2-yl)ethylamino]methyl]phenol

4-(7-chloroquinolin-4-yl)-2-[[2-(1-methylpyrrolidin-2-yl)ethylamino]methyl]phenol (PubChem CID 135971338) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 4-(7-chloroquinolin-4-yl)-2-[[2-(1-methylpyrrolidin-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-(7-chloroquinolin-4-yl)-2-[[2-(1-methylpyrrolidin-2-yl)ethylamino]methyl]phenol
PubChem CID135971338
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name4-(7-chloroquinolin-4-yl)-2-[[2-(1-methylpyrrolidin-2-yl)ethylamino]methyl]phenol
SMILESCN1CCCC1CCNCc1cc(-c2ccnc3cc(Cl)ccc23)ccc1O
InChIInChI=1S/C23H26ClN3O/c1-27-12-2-3-19(27)8-10-25-15-17-13-16(4-7-23(17)28)20-9-11-26-22-14-18(24)5-6-21(20)22/h4-7,9,11,13-14,19,25,28H,2-3,8,10,12,15H2,1H3
InChIKeyHFDHFUIYFUJYFA-UHFFFAOYSA-N
XLogP4.83
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(7-chloroquinolin-4-yl)-2-[[2-(1-methylpyrrolidin-2-yl)ethylamino]methyl]phenol with MolForge

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Related Compounds

Amodiaquine
CID 2165
Amodiaquine Hydrochloride
CID 64646
Amopyroquine
CID 25194
L-741,626
CID 133633
Desethylamodiaquine
CID 122068
Tebuquine
CID 71991
5-(7-Chloroquinolin-4-ylamino)-2-diethylaminomethylphenol
CID 2166
4-((7-Chloroquinolin-4-yl)amino)-2-((diethylamino)methyl)phenol dihydrochloride
CID 6246
7-Chloro-4-(4-hydroxyanilino)quinoline
CID 224178
Gsk-369796
CID 10316203
Npc488012
CID 16051921
Amodiaquine dihydrochloride dihydrate
CID 16218886

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroquinolin-4-yl)-2-[[2-(1-methylpyrrolidin-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 4-(7-chloroquinolin-4-yl)-2-[[2-(1-methylpyrrolidin-2-yl)ethylamino]methyl]phenol (CID 135971338) is 4-(7-chloroquinolin-4-yl)-2-[[2-(1-methylpyrrolidin-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 4-(7-chloroquinolin-4-yl)-2-[[2-(1-methylpyrrolidin-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 4-(7-chloroquinolin-4-yl)-2-[[2-(1-methylpyrrolidin-2-yl)ethylamino]methyl]phenol is CN1CCCC1CCNCc1cc(-c2ccnc3cc(Cl)ccc23)ccc1O.
What is the InChIKey of 4-(7-chloroquinolin-4-yl)-2-[[2-(1-methylpyrrolidin-2-yl)ethylamino]methyl]phenol?
The InChIKey is HFDHFUIYFUJYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-27-12-2-3-19(27)8-10-25-15-17-13-16(4-7-23(17)28)20-9-11-26-22-14-18(24)5-6-21(20)22/h4-7,9,11,13-14,19,25,28H,2-3,8,10,12,15H2,1H3.
What are the key properties of 4-(7-chloroquinolin-4-yl)-2-[[2-(1-methylpyrrolidin-2-yl)ethylamino]methyl]phenol?
4-(7-chloroquinolin-4-yl)-2-[[2-(1-methylpyrrolidin-2-yl)ethylamino]methyl]phenol has a molecular weight of 395.93 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroquinolin-4-yl)-2-[[2-(1-methylpyrrolidin-2-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 135971338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).