1-(5-bromoquinolin-8-yl)-2-propoxyethanol

C14H16BrNO2 — CID 112618151

IUPAC1-(5-bromoquinolin-8-yl)-2-propoxyethanol
SMILESCCCOCC(O)c1ccc(Br)c2cccnc12
InChIInChI=1S/C14H16BrNO2/c1-2-8-18-9-13(17)11-5-6-12(15)10-4-3-7-16-14(10)11/h3-7,13,17H,2,8-9H2,1H3
InChIKeyORITTXBRZKXBRW-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.46
Rot. Bonds5

About 1-(5-bromoquinolin-8-yl)-2-propoxyethanol

1-(5-bromoquinolin-8-yl)-2-propoxyethanol (PubChem CID 112618151) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-(5-bromoquinolin-8-yl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(5-bromoquinolin-8-yl)-2-propoxyethanol
PubChem CID112618151
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name1-(5-bromoquinolin-8-yl)-2-propoxyethanol
SMILESCCCOCC(O)c1ccc(Br)c2cccnc12
InChIInChI=1S/C14H16BrNO2/c1-2-8-18-9-13(17)11-5-6-12(15)10-4-3-7-16-14(10)11/h3-7,13,17H,2,8-9H2,1H3
InChIKeyORITTXBRZKXBRW-UHFFFAOYSA-N
XLogP3.46
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-bromoquinolin-8-yl)-2-propoxyethanol 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

1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol
CID 112618176
methyl 4-(5-bromoquinolin-8-yl)-4-hydroxy-2-methylbutanoate
CID 115960217
1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol
CID 115959968
5-bromo-8-ethoxyquinoline
CID 100612531
1-(3-bromo-2-methylphenyl)-2-propoxyethanol
CID 115818912
(5-bromoquinolin-8-yl)-cyclopentylmethanol
CID 112618124
7-bromo-8-propoxyquinoline
CID 100612692
3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide
CID 115960567
(3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide
CID 103940793
1-isoquinolin-4-yl-2-propoxyethanol
CID 63938415
2-[(5-bromoquinolin-8-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 115960370
2-(5-bromoquinolin-8-yl)-2-(butan-2-ylamino)acetic acid
CID 115959642

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromoquinolin-8-yl)-2-propoxyethanol?
The IUPAC name of 1-(5-bromoquinolin-8-yl)-2-propoxyethanol (CID 112618151) is 1-(5-bromoquinolin-8-yl)-2-propoxyethanol.
What is the SMILES notation for 1-(5-bromoquinolin-8-yl)-2-propoxyethanol?
The canonical SMILES for 1-(5-bromoquinolin-8-yl)-2-propoxyethanol is CCCOCC(O)c1ccc(Br)c2cccnc12.
What is the InChIKey of 1-(5-bromoquinolin-8-yl)-2-propoxyethanol?
The InChIKey is ORITTXBRZKXBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-2-8-18-9-13(17)11-5-6-12(15)10-4-3-7-16-14(10)11/h3-7,13,17H,2,8-9H2,1H3.
What are the key properties of 1-(5-bromoquinolin-8-yl)-2-propoxyethanol?
1-(5-bromoquinolin-8-yl)-2-propoxyethanol has a molecular weight of 310.19 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromoquinolin-8-yl)-2-propoxyethanol is sourced from PubChem (CID 112618151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).