2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol

C18H25N3O3 — CID 167847116

IUPAC2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol
SMILESCOc1cc(OC)c2cc(CN3CCC(NCCO)C3)cnc2c1
InChIInChI=1S/C18H25N3O3/c1-23-15-8-17-16(18(9-15)24-2)7-13(10-20-17)11-21-5-3-14(12-21)19-4-6-22/h7-10,14,19,22H,3-6,11-12H2,1-2H3
InChIKeyQSCZQYBAVZNUDZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.41
Rot. Bonds7

About 2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol

2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol (PubChem CID 167847116) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol
PubChem CID167847116
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol
SMILESCOc1cc(OC)c2cc(CN3CCC(NCCO)C3)cnc2c1
InChIInChI=1S/C18H25N3O3/c1-23-15-8-17-16(18(9-15)24-2)7-13(10-20-17)11-21-5-3-14(12-21)19-4-6-22/h7-10,14,19,22H,3-6,11-12H2,1-2H3
InChIKeyQSCZQYBAVZNUDZ-UHFFFAOYSA-N
XLogP1.41
TPSA66.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol with MolForge

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 43555074
1-[[4-(5,7-dimethoxyquinazolin-2-yl)phenyl]methyl]-N-propan-2-ylpiperidin-4-amine
CID 141280352
1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63362955
(3R,4R)-4-(2-hydroxyethylamino)-1-[(4-methoxyphenyl)methyl]piperidin-3-ol;dihydrochloride
CID 175654410
1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine
CID 142707470
(3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine
CID 12043144
N-(1-benzylpyrrolidin-3-yl)-4-methoxyquinoline-3-carboxamide
CID 44533094
1-benzyl-N-[2-(2-iodo-5-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 68999578
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 58739019
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol?
The IUPAC name of 2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol (CID 167847116) is 2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol?
The canonical SMILES for 2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol is COc1cc(OC)c2cc(CN3CCC(NCCO)C3)cnc2c1.
What is the InChIKey of 2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol?
The InChIKey is QSCZQYBAVZNUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-23-15-8-17-16(18(9-15)24-2)7-13(10-20-17)11-21-5-3-14(12-21)19-4-6-22/h7-10,14,19,22H,3-6,11-12H2,1-2H3.
What are the key properties of 2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol?
2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol has a molecular weight of 331.42 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(5,7-dimethoxyquinolin-3-yl)methyl]pyrrolidin-3-yl]amino]ethanol is sourced from PubChem (CID 167847116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).