4-[(5-aminoquinolin-6-yl)amino]butan-1-ol

C13H17N3O — CID 106840255

IUPAC4-[(5-aminoquinolin-6-yl)amino]butan-1-ol
SMILESNc1c(NCCCCO)ccc2ncccc12
InChIInChI=1S/C13H17N3O/c14-13-10-4-3-8-15-11(10)5-6-12(13)16-7-1-2-9-17/h3-6,8,16-17H,1-2,7,9,14H2
InChIKeyYVWWGXKBSGMBKQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.00
Rot. Bonds5

About 4-[(5-aminoquinolin-6-yl)amino]butan-1-ol

4-[(5-aminoquinolin-6-yl)amino]butan-1-ol (PubChem CID 106840255) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[(5-aminoquinolin-6-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(5-aminoquinolin-6-yl)amino]butan-1-ol
PubChem CID106840255
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[(5-aminoquinolin-6-yl)amino]butan-1-ol
SMILESNc1c(NCCCCO)ccc2ncccc12
InChIInChI=1S/C13H17N3O/c14-13-10-4-3-8-15-11(10)5-6-12(13)16-7-1-2-9-17/h3-6,8,16-17H,1-2,7,9,14H2
InChIKeyYVWWGXKBSGMBKQ-UHFFFAOYSA-N
XLogP2.00
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol
CID 107844066
2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol
CID 62499591
6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine
CID 89050951
6-N-ethylquinoline-5,6-diamine
CID 43809532
2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate
CID 83202979
6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol
CID 103918121
3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol
CID 65034635
6-N-(2-cyclohexylethyl)quinoline-5,6-diamine
CID 60919863
6-N-prop-2-enylquinoline-5,6-diamine
CID 62500024
4-[(8-aminoquinolin-4-yl)amino]butan-1-ol
CID 106840285
3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol
CID 65102906
6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 63305883

Frequently Asked Questions

What is the IUPAC name of 4-[(5-aminoquinolin-6-yl)amino]butan-1-ol?
The IUPAC name of 4-[(5-aminoquinolin-6-yl)amino]butan-1-ol (CID 106840255) is 4-[(5-aminoquinolin-6-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(5-aminoquinolin-6-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(5-aminoquinolin-6-yl)amino]butan-1-ol is Nc1c(NCCCCO)ccc2ncccc12.
What is the InChIKey of 4-[(5-aminoquinolin-6-yl)amino]butan-1-ol?
The InChIKey is YVWWGXKBSGMBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-13-10-4-3-8-15-11(10)5-6-12(13)16-7-1-2-9-17/h3-6,8,16-17H,1-2,7,9,14H2.
What are the key properties of 4-[(5-aminoquinolin-6-yl)amino]butan-1-ol?
4-[(5-aminoquinolin-6-yl)amino]butan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-aminoquinolin-6-yl)amino]butan-1-ol is sourced from PubChem (CID 106840255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).