4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol

C19H19BrClN3O — CID 162444660

IUPAC4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol
SMILESOc1ccc(Br)c(CNCCCNc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C19H19BrClN3O/c20-17-5-3-15(25)10-13(17)12-22-7-1-8-23-18-6-9-24-19-11-14(21)2-4-16(18)19/h2-6,9-11,22,25H,1,7-8,12H2,(H,23,24)
InChIKeyZISNKAHOGOHAGT-UHFFFAOYSA-N
MW420.74 g/mol
LogP4.95
Rot. Bonds7

About 4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol

4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol (PubChem CID 162444660) has the molecular formula C19H19BrClN3O and a molecular weight of 420.74 g/mol. Its IUPAC name is 4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol.

Molecular Properties

Compound Name4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol
PubChem CID162444660
Molecular FormulaC19H19BrClN3O
Molecular Weight420.74 g/mol
Exact Mass419.04
IUPAC Name4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol
SMILESOc1ccc(Br)c(CNCCCNc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C19H19BrClN3O/c20-17-5-3-15(25)10-13(17)12-22-7-1-8-23-18-6-9-24-19-11-14(21)2-4-16(18)19/h2-6,9-11,22,25H,1,7-8,12H2,(H,23,24)
InChIKeyZISNKAHOGOHAGT-UHFFFAOYSA-N
XLogP4.95
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.74
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol with MolForge

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Related Compounds

N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 102583966
2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol
CID 46222242
N-[(4-chloro-3-pyridinyl)methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine
CID 71761856
2-[3-[(7-chloroquinolin-4-yl)amino]propylamino]ethanethiol
CID 14522863
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N'-(7-chloroquinolin-4-yl)-N-[(4-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 71761858
N'-(7-chloroquinolin-4-yl)-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 155513408
N-butyl-7-chloroquinolin-4-amine
CID 10037042
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
CID 10553106
CID 10553106
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine
CID 155559378

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol?
The IUPAC name of 4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol (CID 162444660) is 4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol.
What is the SMILES notation for 4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol?
The canonical SMILES for 4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol is Oc1ccc(Br)c(CNCCCNc2ccnc3cc(Cl)ccc23)c1.
What is the InChIKey of 4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol?
The InChIKey is ZISNKAHOGOHAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3O/c20-17-5-3-15(25)10-13(17)12-22-7-1-8-23-18-6-9-24-19-11-14(21)2-4-16(18)19/h2-6,9-11,22,25H,1,7-8,12H2,(H,23,24).
What are the key properties of 4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol?
4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol has a molecular weight of 420.74 g/mol, XLogP of 4.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol is sourced from PubChem (CID 162444660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).