2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol

C20H22ClN3O2 — CID 46222242

IUPAC2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNCCCNc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C20H22ClN3O2/c1-26-16-4-6-20(25)14(11-16)13-22-8-2-9-23-18-7-10-24-19-12-15(21)3-5-17(18)19/h3-7,10-12,22,25H,2,8-9,13H2,1H3,(H,23,24)
InChIKeyBRQWHFHTBFSKAA-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.19
Rot. Bonds8

About 2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol

2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol (PubChem CID 46222242) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol
PubChem CID46222242
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNCCCNc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C20H22ClN3O2/c1-26-16-4-6-20(25)14(11-16)13-22-8-2-9-23-18-7-10-24-19-12-15(21)3-5-17(18)19/h3-7,10-12,22,25H,2,8-9,13H2,1H3,(H,23,24)
InChIKeyBRQWHFHTBFSKAA-UHFFFAOYSA-N
XLogP4.19
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol with MolForge

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Related Compounds

N'-(7-chloroquinolin-4-yl)-N-[(4-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 71761858
N'-(7-chloroquinolin-4-yl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]propane-1,3-diamine
CID 118728615
N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 102583966
4-bromo-3-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]phenol
CID 162444660
1-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(4-methoxyphenyl)thiourea
CID 44544468
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
4-[(7-chloroquinolin-4-yl)amino]-2-[(hexylamino)methyl]phenol
CID 135358665
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
2-methoxy-6-[[3-[[7-(4-methoxyphenyl)quinolin-4-yl]amino]propylamino]methyl]phenol;hydrochloride
CID 56594877
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol (CID 46222242) is 2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol is COc1ccc(O)c(CNCCCNc2ccnc3cc(Cl)ccc23)c1.
What is the InChIKey of 2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol?
The InChIKey is BRQWHFHTBFSKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-26-16-4-6-20(25)14(11-16)13-22-8-2-9-23-18-7-10-24-19-12-15(21)3-5-17(18)19/h3-7,10-12,22,25H,2,8-9,13H2,1H3,(H,23,24).
What are the key properties of 2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol?
2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol has a molecular weight of 371.87 g/mol, XLogP of 4.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol is sourced from PubChem (CID 46222242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).