3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol

C17H23N3O — CID 62478492

IUPAC3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESNc1nc2ccccc2cc1CN1CCCC1CCCO
InChIInChI=1S/C17H23N3O/c18-17-14(11-13-5-1-2-8-16(13)19-17)12-20-9-3-6-15(20)7-4-10-21/h1-2,5,8,11,15,21H,3-4,6-7,9-10,12H2,(H2,18,19)
InChIKeyOGFOQTNOTCZARL-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.55
Rot. Bonds5

About 3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62478492) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62478492
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESNc1nc2ccccc2cc1CN1CCCC1CCCO
InChIInChI=1S/C17H23N3O/c18-17-14(11-13-5-1-2-8-16(13)19-17)12-20-9-3-6-15(20)7-4-10-21/h1-2,5,8,11,15,21H,3-4,6-7,9-10,12H2,(H2,18,19)
InChIKeyOGFOQTNOTCZARL-UHFFFAOYSA-N
XLogP2.55
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 62207536
3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62479564
3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 62469009
[1-[(2-hydrazinylquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 62246844
3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 62469231
3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 62467617
3-[1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 64769785
3-(pyrrolidin-1-ylmethyl)quinolin-2-amine
CID 55046492
2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 63571354
3-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 65321407
4-fluoro-3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzenecarbothioamide
CID 62469516
3-[1-[(2-amino-5-nitrophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62478851

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol (CID 62478492) is 3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol is Nc1nc2ccccc2cc1CN1CCCC1CCCO.
What is the InChIKey of 3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is OGFOQTNOTCZARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-17-14(11-13-5-1-2-8-16(13)19-17)12-20-9-3-6-15(20)7-4-10-21/h1-2,5,8,11,15,21H,3-4,6-7,9-10,12H2,(H2,18,19).
What are the key properties of 3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62478492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).