4-[4-(1-hydroxybutoxy)-3-methylphenyl]quinolin-7-ol

C20H21NO3 — CID 170255153

IUPAC4-[4-(1-hydroxybutoxy)-3-methylphenyl]quinolin-7-ol
SMILESCCCC(O)Oc1ccc(-c2ccnc3cc(O)ccc23)cc1C
InChIInChI=1S/C20H21NO3/c1-3-4-20(23)24-19-8-5-14(11-13(19)2)16-9-10-21-18-12-15(22)6-7-17(16)18/h5-12,20,22-23H,3-4H2,1-2H3
InChIKeyQEDUHXZGECVOED-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.41
Rot. Bonds5

About 4-[4-(1-hydroxybutoxy)-3-methylphenyl]quinolin-7-ol

4-[4-(1-hydroxybutoxy)-3-methylphenyl]quinolin-7-ol (PubChem CID 170255153) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-[4-(1-hydroxybutoxy)-3-methylphenyl]quinolin-7-ol.

Molecular Properties

Compound Name4-[4-(1-hydroxybutoxy)-3-methylphenyl]quinolin-7-ol
PubChem CID170255153
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name4-[4-(1-hydroxybutoxy)-3-methylphenyl]quinolin-7-ol
SMILESCCCC(O)Oc1ccc(-c2ccnc3cc(O)ccc23)cc1C
InChIInChI=1S/C20H21NO3/c1-3-4-20(23)24-19-8-5-14(11-13(19)2)16-9-10-21-18-12-15(22)6-7-17(16)18/h5-12,20,22-23H,3-4H2,1-2H3
InChIKeyQEDUHXZGECVOED-UHFFFAOYSA-N
XLogP4.41
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[4-(1-hydroxybutoxy)-3-methylphenyl]quinolin-7-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-hydroxybutoxy)-3-methylphenyl]quinolin-7-ol?
The IUPAC name of 4-[4-(1-hydroxybutoxy)-3-methylphenyl]quinolin-7-ol (CID 170255153) is 4-[4-(1-hydroxybutoxy)-3-methylphenyl]quinolin-7-ol.
What is the SMILES notation for 4-[4-(1-hydroxybutoxy)-3-methylphenyl]quinolin-7-ol?
The canonical SMILES for 4-[4-(1-hydroxybutoxy)-3-methylphenyl]quinolin-7-ol is CCCC(O)Oc1ccc(-c2ccnc3cc(O)ccc23)cc1C.
What is the InChIKey of 4-[4-(1-hydroxybutoxy)-3-methylphenyl]quinolin-7-ol?
The InChIKey is QEDUHXZGECVOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-3-4-20(23)24-19-8-5-14(11-13(19)2)16-9-10-21-18-12-15(22)6-7-17(16)18/h5-12,20,22-23H,3-4H2,1-2H3.
What are the key properties of 4-[4-(1-hydroxybutoxy)-3-methylphenyl]quinolin-7-ol?
4-[4-(1-hydroxybutoxy)-3-methylphenyl]quinolin-7-ol has a molecular weight of 323.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-hydroxybutoxy)-3-methylphenyl]quinolin-7-ol is sourced from PubChem (CID 170255153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).