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

C15H19N3O — CID 62207536

IUPAC[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol
SMILESNc1nc2ccccc2cc1CN1CCCC1CO
InChIInChI=1S/C15H19N3O/c16-15-12(9-18-7-3-5-13(18)10-19)8-11-4-1-2-6-14(11)17-15/h1-2,4,6,8,13,19H,3,5,7,9-10H2,(H2,16,17)
InChIKeyJUKKWJKDJWATQV-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.77
Rot. Bonds3

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

[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 62207536) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID62207536
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol
SMILESNc1nc2ccccc2cc1CN1CCCC1CO
InChIInChI=1S/C15H19N3O/c16-15-12(9-18-7-3-5-13(18)10-19)8-11-4-1-2-6-14(11)17-15/h1-2,4,6,8,13,19H,3,5,7,9-10H2,(H2,16,17)
InChIKeyJUKKWJKDJWATQV-UHFFFAOYSA-N
XLogP1.77
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62478492
[1-[(2-hydrazinylquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 62246844
[(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 78995603
3-(pyrrolidin-1-ylmethyl)quinolin-2-amine
CID 55046492
[(2R)-1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79240208
[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79241362
[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811
[1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol
CID 61410857
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine
CID 62181955
[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62015900
3-[(4-ethylpiperidin-1-yl)methyl]quinolin-2-amine
CID 62207764
[1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol
CID 116634094

Frequently Asked Questions

What is the IUPAC name of [1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol (CID 62207536) is [1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol is Nc1nc2ccccc2cc1CN1CCCC1CO.
What is the InChIKey of [1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is JUKKWJKDJWATQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-15-12(9-18-7-3-5-13(18)10-19)8-11-4-1-2-6-14(11)17-15/h1-2,4,6,8,13,19H,3,5,7,9-10H2,(H2,16,17).
What are the key properties of [1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol?
[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 257.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62207536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).