1-[[2-(propylamino)quinolin-3-yl]methyl]pyrrolidin-3-ol

C17H23N3O — CID 62943784

IUPAC1-[[2-(propylamino)quinolin-3-yl]methyl]pyrrolidin-3-ol
SMILESCCCNc1nc2ccccc2cc1CN1CCC(O)C1
InChIInChI=1S/C17H23N3O/c1-2-8-18-17-14(11-20-9-7-15(21)12-20)10-13-5-3-4-6-16(13)19-17/h3-6,10,15,21H,2,7-9,11-12H2,1H3,(H,18,19)
InChIKeyGKDYORGBGDXKKE-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.62
Rot. Bonds5

About 1-[[2-(propylamino)quinolin-3-yl]methyl]pyrrolidin-3-ol

1-[[2-(propylamino)quinolin-3-yl]methyl]pyrrolidin-3-ol (PubChem CID 62943784) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[[2-(propylamino)quinolin-3-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[2-(propylamino)quinolin-3-yl]methyl]pyrrolidin-3-ol
PubChem CID62943784
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[[2-(propylamino)quinolin-3-yl]methyl]pyrrolidin-3-ol
SMILESCCCNc1nc2ccccc2cc1CN1CCC(O)C1
InChIInChI=1S/C17H23N3O/c1-2-8-18-17-14(11-20-9-7-15(21)12-20)10-13-5-3-4-6-16(13)19-17/h3-6,10,15,21H,2,7-9,11-12H2,1H3,(H,18,19)
InChIKeyGKDYORGBGDXKKE-UHFFFAOYSA-N
XLogP2.62
TPSA48.39 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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(propylamino)quinolin-3-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[2-(propylamino)quinolin-3-yl]methyl]pyrrolidin-3-ol (CID 62943784) is 1-[[2-(propylamino)quinolin-3-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[2-(propylamino)quinolin-3-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[2-(propylamino)quinolin-3-yl]methyl]pyrrolidin-3-ol is CCCNc1nc2ccccc2cc1CN1CCC(O)C1.
What is the InChIKey of 1-[[2-(propylamino)quinolin-3-yl]methyl]pyrrolidin-3-ol?
The InChIKey is GKDYORGBGDXKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-8-18-17-14(11-20-9-7-15(21)12-20)10-13-5-3-4-6-16(13)19-17/h3-6,10,15,21H,2,7-9,11-12H2,1H3,(H,18,19).
What are the key properties of 1-[[2-(propylamino)quinolin-3-yl]methyl]pyrrolidin-3-ol?
1-[[2-(propylamino)quinolin-3-yl]methyl]pyrrolidin-3-ol has a molecular weight of 285.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(propylamino)quinolin-3-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62943784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).