3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol

C14H19N3O — CID 65378237

IUPAC3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol
SMILESNCC(NCCCO)c1ccc2ncccc2c1
InChIInChI=1S/C14H19N3O/c15-10-14(17-7-2-8-18)12-4-5-13-11(9-12)3-1-6-16-13/h1,3-6,9,14,17-18H,2,7-8,10,15H2
InChIKeyHJPDYJCKXVXBDJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.21
Rot. Bonds6

About 3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol

3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol (PubChem CID 65378237) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol
PubChem CID65378237
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol
SMILESNCC(NCCCO)c1ccc2ncccc2c1
InChIInChI=1S/C14H19N3O/c15-10-14(17-7-2-8-18)12-4-5-13-11(9-12)3-1-6-16-13/h1,3-6,9,14,17-18H,2,7-8,10,15H2
InChIKeyHJPDYJCKXVXBDJ-UHFFFAOYSA-N
XLogP1.21
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967677
1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 65377807
1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380354
2-[(2-amino-1-naphthalen-2-ylethyl)amino]ethanol
CID 65379520
2-(2-methylpropylamino)-2-quinolin-6-ylethanol
CID 63968528
2-quinolin-6-ylpropan-1-amine
CID 79002101
2-(3-methylanilino)-2-quinolin-6-ylethanol
CID 63970817
3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine
CID 81231447
2-(2-bromoanilino)-2-quinolin-6-ylethanol
CID 63970821
4-(2-hydrazinyl-2-quinolin-6-ylethyl)pyridin-2-amine
CID 105218537
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
3-[[2-amino-1-(3-phenoxyphenyl)ethyl]amino]propan-1-ol
CID 65378448

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol?
The IUPAC name of 3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol (CID 65378237) is 3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol is NCC(NCCCO)c1ccc2ncccc2c1.
What is the InChIKey of 3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol?
The InChIKey is HJPDYJCKXVXBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-10-14(17-7-2-8-18)12-4-5-13-11(9-12)3-1-6-16-13/h1,3-6,9,14,17-18H,2,7-8,10,15H2.
What are the key properties of 3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol?
3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol is sourced from PubChem (CID 65378237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).