4-(quinolin-3-ylamino)butan-1-ol

C13H16N2O — CID 118731130

IUPAC4-(quinolin-3-ylamino)butan-1-ol
SMILESOCCCCNc1cnc2ccccc2c1
InChIInChI=1S/C13H16N2O/c16-8-4-3-7-14-12-9-11-5-1-2-6-13(11)15-10-12/h1-2,5-6,9-10,14,16H,3-4,7-8H2
InChIKeyLHBHUCPKNFSFQJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.42
Rot. Bonds5

About 4-(quinolin-3-ylamino)butan-1-ol

4-(quinolin-3-ylamino)butan-1-ol (PubChem CID 118731130) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(quinolin-3-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(quinolin-3-ylamino)butan-1-ol
PubChem CID118731130
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(quinolin-3-ylamino)butan-1-ol
SMILESOCCCCNc1cnc2ccccc2c1
InChIInChI=1S/C13H16N2O/c16-8-4-3-7-14-12-9-11-5-1-2-6-13(11)15-10-12/h1-2,5-6,9-10,14,16H,3-4,7-8H2
InChIKeyLHBHUCPKNFSFQJ-UHFFFAOYSA-N
XLogP2.42
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-3-ylamino)butan-1-ol?
The IUPAC name of 4-(quinolin-3-ylamino)butan-1-ol (CID 118731130) is 4-(quinolin-3-ylamino)butan-1-ol.
What is the SMILES notation for 4-(quinolin-3-ylamino)butan-1-ol?
The canonical SMILES for 4-(quinolin-3-ylamino)butan-1-ol is OCCCCNc1cnc2ccccc2c1.
What is the InChIKey of 4-(quinolin-3-ylamino)butan-1-ol?
The InChIKey is LHBHUCPKNFSFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-8-4-3-7-14-12-9-11-5-1-2-6-13(11)15-10-12/h1-2,5-6,9-10,14,16H,3-4,7-8H2.
What are the key properties of 4-(quinolin-3-ylamino)butan-1-ol?
4-(quinolin-3-ylamino)butan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-3-ylamino)butan-1-ol is sourced from PubChem (CID 118731130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).