1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol

C17H23N3O — CID 78986962

IUPAC1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol
SMILESOC(CNCc1cccc2cccnc12)CN1CCCC1
InChIInChI=1S/C17H23N3O/c21-16(13-20-9-1-2-10-20)12-18-11-15-6-3-5-14-7-4-8-19-17(14)15/h3-8,16,18,21H,1-2,9-13H2
InChIKeyVCQWAEOWUGVIIQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.78
Rot. Bonds6

About 1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol

1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol (PubChem CID 78986962) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol
PubChem CID78986962
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol
SMILESOC(CNCc1cccc2cccnc12)CN1CCCC1
InChIInChI=1S/C17H23N3O/c21-16(13-20-9-1-2-10-20)12-18-11-15-6-3-5-14-7-4-8-19-17(14)15/h3-8,16,18,21H,1-2,9-13H2
InChIKeyVCQWAEOWUGVIIQ-UHFFFAOYSA-N
XLogP1.78
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-(quinolin-8-ylmethylamino)propan-2-ol
CID 103158149
1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 82734995
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-quinolin-8-ylacetamide
CID 86824127
1-phenyl-2-(quinolin-8-ylmethylamino)ethanol
CID 43394632
1-[(2-prop-2-ynoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110910791
1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 111110859
1-ethoxy-2-(quinolin-8-ylmethylamino)ethanol
CID 169240625
1-cyclobutyl-N-(quinolin-8-ylmethyl)methanamine
CID 43298300
3-methyl-4-(quinolin-8-ylmethylamino)butan-1-ol
CID 66089220
1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110928639
N,N-dimethyl-1-[(quinolin-8-ylmethylamino)methyl]cyclobutan-1-amine
CID 105415743
2-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 43182084

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol?
The IUPAC name of 1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol (CID 78986962) is 1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol is OC(CNCc1cccc2cccnc12)CN1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol?
The InChIKey is VCQWAEOWUGVIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-16(13-20-9-1-2-10-20)12-18-11-15-6-3-5-14-7-4-8-19-17(14)15/h3-8,16,18,21H,1-2,9-13H2.
What are the key properties of 1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol?
1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol is sourced from PubChem (CID 78986962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).