3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-1,4-dihydroquinazolin-2-one

C18H25N3O — CID 58885036

IUPAC3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-1,4-dihydroquinazolin-2-one
SMILESCC(C)N1C2CCC1CC(N1Cc3ccccc3NC1=O)C2
InChIInChI=1S/C18H25N3O/c1-12(2)21-14-7-8-15(21)10-16(9-14)20-11-13-5-3-4-6-17(13)19-18(20)22/h3-6,12,14-16H,7-11H2,1-2H3,(H,19,22)
InChIKeyJDPSPTVKCDINKD-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.44
Rot. Bonds2

About 3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-1,4-dihydroquinazolin-2-one

3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-1,4-dihydroquinazolin-2-one (PubChem CID 58885036) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-1,4-dihydroquinazolin-2-one
PubChem CID58885036
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-1,4-dihydroquinazolin-2-one
SMILESCC(C)N1C2CCC1CC(N1Cc3ccccc3NC1=O)C2
InChIInChI=1S/C18H25N3O/c1-12(2)21-14-7-8-15(21)10-16(9-14)20-11-13-5-3-4-6-17(13)19-18(20)22/h3-6,12,14-16H,7-11H2,1-2H3,(H,19,22)
InChIKeyJDPSPTVKCDINKD-UHFFFAOYSA-N
XLogP3.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-1,4-dihydroquinazolin-2-one (CID 58885036) is 3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-1,4-dihydroquinazolin-2-one is CC(C)N1C2CCC1CC(N1Cc3ccccc3NC1=O)C2.
What is the InChIKey of 3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-1,4-dihydroquinazolin-2-one?
The InChIKey is JDPSPTVKCDINKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-12(2)21-14-7-8-15(21)10-16(9-14)20-11-13-5-3-4-6-17(13)19-18(20)22/h3-6,12,14-16H,7-11H2,1-2H3,(H,19,22).
What are the key properties of 3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-1,4-dihydroquinazolin-2-one?
3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-1,4-dihydroquinazolin-2-one has a molecular weight of 299.42 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 58885036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).