3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one

C15H21N3O — CID 58964811

IUPAC3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one
SMILESCC(C)(C)N1CC(N2Cc3ccccc3NC2=O)C1
InChIInChI=1S/C15H21N3O/c1-15(2,3)17-9-12(10-17)18-8-11-6-4-5-7-13(11)16-14(18)19/h4-7,12H,8-10H2,1-3H3,(H,16,19)
InChIKeyUNWNKOYMPYELEW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.52
Rot. Bonds1

About 3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one

3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one (PubChem CID 58964811) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one
PubChem CID58964811
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one
SMILESCC(C)(C)N1CC(N2Cc3ccccc3NC2=O)C1
InChIInChI=1S/C15H21N3O/c1-15(2,3)17-9-12(10-17)18-8-11-6-4-5-7-13(11)16-14(18)19/h4-7,12H,8-10H2,1-3H3,(H,16,19)
InChIKeyUNWNKOYMPYELEW-UHFFFAOYSA-N
XLogP2.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one (CID 58964811) is 3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one is CC(C)(C)N1CC(N2Cc3ccccc3NC2=O)C1.
What is the InChIKey of 3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one?
The InChIKey is UNWNKOYMPYELEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,3)17-9-12(10-17)18-8-11-6-4-5-7-13(11)16-14(18)19/h4-7,12H,8-10H2,1-3H3,(H,16,19).
What are the key properties of 3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one?
3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 58964811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).