7,7-dimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one

C15H21N3O2 — CID 665051

IUPAC7,7-dimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(NCC3CCCO3)nc2C1
InChIInChI=1S/C15H21N3O2/c1-15(2)6-12-11(13(19)7-15)9-17-14(18-12)16-8-10-4-3-5-20-10/h9-10H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyPVNQGMOTTHXXGY-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.22
Rot. Bonds3

About 7,7-dimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one

7,7-dimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one (PubChem CID 665051) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 7,7-dimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one
PubChem CID665051
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name7,7-dimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(NCC3CCCO3)nc2C1
InChIInChI=1S/C15H21N3O2/c1-15(2)6-12-11(13(19)7-15)9-17-14(18-12)16-8-10-4-3-5-20-10/h9-10H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyPVNQGMOTTHXXGY-UHFFFAOYSA-N
XLogP2.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one?
The IUPAC name of 7,7-dimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one (CID 665051) is 7,7-dimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 7,7-dimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 7,7-dimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2cnc(NCC3CCCO3)nc2C1.
What is the InChIKey of 7,7-dimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one?
The InChIKey is PVNQGMOTTHXXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2)6-12-11(13(19)7-15)9-17-14(18-12)16-8-10-4-3-5-20-10/h9-10H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 7,7-dimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one?
7,7-dimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one has a molecular weight of 275.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 665051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).