2-(3-hydroxy-1-octyl-2,4-dihydroquinazolin-2-yl)phenol

C22H30N2O2 — CID 152668291

IUPAC2-(3-hydroxy-1-octyl-2,4-dihydroquinazolin-2-yl)phenol
SMILESCCCCCCCCN1c2ccccc2CN(O)C1c1ccccc1O
InChIInChI=1S/C22H30N2O2/c1-2-3-4-5-6-11-16-23-20-14-9-7-12-18(20)17-24(26)22(23)19-13-8-10-15-21(19)25/h7-10,12-15,22,25-26H,2-6,11,16-17H2,1H3
InChIKeyZKZAZVPTCYQODR-UHFFFAOYSA-N
MW354.49 g/mol
LogP5.46
Rot. Bonds8

About 2-(3-hydroxy-1-octyl-2,4-dihydroquinazolin-2-yl)phenol

2-(3-hydroxy-1-octyl-2,4-dihydroquinazolin-2-yl)phenol (PubChem CID 152668291) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-(3-hydroxy-1-octyl-2,4-dihydroquinazolin-2-yl)phenol.

Molecular Properties

Compound Name2-(3-hydroxy-1-octyl-2,4-dihydroquinazolin-2-yl)phenol
PubChem CID152668291
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-(3-hydroxy-1-octyl-2,4-dihydroquinazolin-2-yl)phenol
SMILESCCCCCCCCN1c2ccccc2CN(O)C1c1ccccc1O
InChIInChI=1S/C22H30N2O2/c1-2-3-4-5-6-11-16-23-20-14-9-7-12-18(20)17-24(26)22(23)19-13-8-10-15-21(19)25/h7-10,12-15,22,25-26H,2-6,11,16-17H2,1H3
InChIKeyZKZAZVPTCYQODR-UHFFFAOYSA-N
XLogP5.46
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-1-hexyl-2,3-dihydroindole
CID 11096828
(1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine
CID 63527317
methyl 1-heptyl-3,4-dihydro-2H-quinoline-2-carboxylate
CID 142683779
2-bromo-1,3-dihexadecyl-2H-benzimidazole
CID 175104565
3-methyl-2-phenyl-1-propyl-2,4-dihydroquinazoline
CID 132540177
1-butyl-3,4-dihydro-2H-quinolin-2-amine
CID 146573468
1-octyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338347
2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid
CID 91464048
5-pentyl-6H-benzo[b][1,4]benzoxazepine
CID 67833810
7-hexoxybicyclo[4.2.0]octa-1,3,5-triene
CID 122208722
3-(5-bromo-2-hydroxyphenyl)-1-pentyl-3H-indol-2-one
CID 58872536
2-octadecyl-3H-isoindol-1-imine
CID 118268270

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-octyl-2,4-dihydroquinazolin-2-yl)phenol?
The IUPAC name of 2-(3-hydroxy-1-octyl-2,4-dihydroquinazolin-2-yl)phenol (CID 152668291) is 2-(3-hydroxy-1-octyl-2,4-dihydroquinazolin-2-yl)phenol.
What is the SMILES notation for 2-(3-hydroxy-1-octyl-2,4-dihydroquinazolin-2-yl)phenol?
The canonical SMILES for 2-(3-hydroxy-1-octyl-2,4-dihydroquinazolin-2-yl)phenol is CCCCCCCCN1c2ccccc2CN(O)C1c1ccccc1O.
What is the InChIKey of 2-(3-hydroxy-1-octyl-2,4-dihydroquinazolin-2-yl)phenol?
The InChIKey is ZKZAZVPTCYQODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-2-3-4-5-6-11-16-23-20-14-9-7-12-18(20)17-24(26)22(23)19-13-8-10-15-21(19)25/h7-10,12-15,22,25-26H,2-6,11,16-17H2,1H3.
What are the key properties of 2-(3-hydroxy-1-octyl-2,4-dihydroquinazolin-2-yl)phenol?
2-(3-hydroxy-1-octyl-2,4-dihydroquinazolin-2-yl)phenol has a molecular weight of 354.49 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-octyl-2,4-dihydroquinazolin-2-yl)phenol is sourced from PubChem (CID 152668291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).