3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one

C18H19N3O — CID 23819331

IUPAC3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one
SMILESCC(C)CCn1c(-c2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C18H19N3O/c1-13(2)9-11-21-17(14-6-5-10-19-12-14)20-16-8-4-3-7-15(16)18(21)22/h3-8,10,12-13H,9,11H2,1-2H3
InChIKeyZGBVZEIPNARXJF-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.50
Rot. Bonds4

About 3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one

3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one (PubChem CID 23819331) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one.

Molecular Properties

Compound Name3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one
PubChem CID23819331
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one
SMILESCC(C)CCn1c(-c2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C18H19N3O/c1-13(2)9-11-21-17(14-6-5-10-19-12-14)20-16-8-4-3-7-15(16)18(21)22/h3-8,10,12-13H,9,11H2,1-2H3
InChIKeyZGBVZEIPNARXJF-UHFFFAOYSA-N
XLogP3.50
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride
CID 135154211
2-methylpropyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)acetate
CID 23827567
3-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-one
CID 71368139
3-(2-methylpropyl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164742
ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
CID 23762682
3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one
CID 84603727
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
CID 23878226
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
3-naphthalen-2-yl-2-pyridin-3-ylquinazolin-4-one
CID 135154824
3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
CID 23736145

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one?
The IUPAC name of 3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one (CID 23819331) is 3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one.
What is the SMILES notation for 3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one?
The canonical SMILES for 3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one is CC(C)CCn1c(-c2cccnc2)nc2ccccc2c1=O.
What is the InChIKey of 3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one?
The InChIKey is ZGBVZEIPNARXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13(2)9-11-21-17(14-6-5-10-19-12-14)20-16-8-4-3-7-15(16)18(21)22/h3-8,10,12-13H,9,11H2,1-2H3.
What are the key properties of 3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one?
3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one has a molecular weight of 293.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-2-pyridin-3-ylquinazolin-4-one is sourced from PubChem (CID 23819331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).