2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol

C18H26N2O4 — CID 21424705

IUPAC2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol
SMILESCOc1cc2nccc(CCCN(CCO)CCO)c2cc1OC
InChIInChI=1S/C18H26N2O4/c1-23-17-12-15-14(4-3-7-20(8-10-21)9-11-22)5-6-19-16(15)13-18(17)24-2/h5-6,12-13,21-22H,3-4,7-11H2,1-2H3
InChIKeyCSCAHMXUUDJBGA-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.47
Rot. Bonds10

About 2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol

2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 21424705) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol
PubChem CID21424705
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol
SMILESCOc1cc2nccc(CCCN(CCO)CCO)c2cc1OC
InChIInChI=1S/C18H26N2O4/c1-23-17-12-15-14(4-3-7-20(8-10-21)9-11-22)5-6-19-16(15)13-18(17)24-2/h5-6,12-13,21-22H,3-4,7-11H2,1-2H3
InChIKeyCSCAHMXUUDJBGA-UHFFFAOYSA-N
XLogP1.47
TPSA75.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6,7-dimethoxyquinolin-4-yl)acetic acid
CID 11436553
N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 86037171
methane;4,6,7-trimethoxyquinoline
CID 157066291
2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol
CID 159856965
2-[2-[4-[2-chloro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol
CID 142235213
(6,7-dimethoxyquinolin-4-yl)phosphane
CID 118485424
1-[4-[(6,7-dimethoxyquinolin-4-yl)methyl]phenyl]-5-phenylpentan-1-one
CID 58065102
2-[3-(5-amino-2,4-dimethoxyphenyl)propyl-ethylamino]ethanol
CID 82183866
sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate
CID 141269409
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
2-(6,7-dimethoxyisoquinolin-1-yl)ethanol
CID 116995192

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol (CID 21424705) is 2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol is COc1cc2nccc(CCCN(CCO)CCO)c2cc1OC.
What is the InChIKey of 2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is CSCAHMXUUDJBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-23-17-12-15-14(4-3-7-20(8-10-21)9-11-22)5-6-19-16(15)13-18(17)24-2/h5-6,12-13,21-22H,3-4,7-11H2,1-2H3.
What are the key properties of 2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol?
2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 334.42 g/mol, XLogP of 1.47, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 21424705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).