3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride

C17H18ClN3O2 — CID 135154211

IUPAC3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride
SMILESCl.O=c1c2ccccc2nc(-c2cccnc2)n1CCCCO
InChIInChI=1S/C17H17N3O2.ClH/c21-11-4-3-10-20-16(13-6-5-9-18-12-13)19-15-8-2-1-7-14(15)17(20)22;/h1-2,5-9,12,21H,3-4,10-11H2;1H
InChIKeyZIJPXZSTPVMJQG-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.65
Rot. Bonds5

About 3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride

3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride (PubChem CID 135154211) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride
PubChem CID135154211
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride
SMILESCl.O=c1c2ccccc2nc(-c2cccnc2)n1CCCCO
InChIInChI=1S/C17H17N3O2.ClH/c21-11-4-3-10-20-16(13-6-5-9-18-12-13)19-15-8-2-1-7-14(15)17(20)22;/h1-2,5-9,12,21H,3-4,10-11H2;1H
InChIKeyZIJPXZSTPVMJQG-UHFFFAOYSA-N
XLogP2.65
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one
CID 23819331
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542
2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate
CID 23827567
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one
CID 71368139
ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
CID 23762682
3-(4-hydroxybutyl)-2-propylquinazolin-4-one
CID 59723833
3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
CID 23736145
2-pyridin-3-yl-1-undecylbenzimidazole
CID 18878842
3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride
CID 135154717
3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
CID 142893421
bis(3-(4-oxo-2-phenylquinazolin-3-yl)propanoic acid);piperazine
CID 3053641

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride?
The IUPAC name of 3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride (CID 135154211) is 3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride.
What is the SMILES notation for 3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride?
The canonical SMILES for 3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride is Cl.O=c1c2ccccc2nc(-c2cccnc2)n1CCCCO.
What is the InChIKey of 3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride?
The InChIKey is ZIJPXZSTPVMJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2.ClH/c21-11-4-3-10-20-16(13-6-5-9-18-12-13)19-15-8-2-1-7-14(15)17(20)22;/h1-2,5-9,12,21H,3-4,10-11H2;1H.
What are the key properties of 3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride?
3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride has a molecular weight of 331.80 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride is sourced from PubChem (CID 135154211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).