4,7,7-trimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one

C16H23N3O2 — CID 667033

IUPAC4,7,7-trimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one
SMILESCc1nc(NCC2CCCO2)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C16H23N3O2/c1-10-14-12(7-16(2,3)8-13(14)20)19-15(18-10)17-9-11-5-4-6-21-11/h11H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyPYAGGCKEPRPZOA-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.53
Rot. Bonds3

About 4,7,7-trimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one

4,7,7-trimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one (PubChem CID 667033) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4,7,7-trimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name4,7,7-trimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one
PubChem CID667033
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4,7,7-trimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one
SMILESCc1nc(NCC2CCCO2)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C16H23N3O2/c1-10-14-12(7-16(2,3)8-13(14)20)19-15(18-10)17-9-11-5-4-6-21-11/h11H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyPYAGGCKEPRPZOA-UHFFFAOYSA-N
XLogP2.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one?
The IUPAC name of 4,7,7-trimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one (CID 667033) is 4,7,7-trimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 4,7,7-trimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 4,7,7-trimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one is Cc1nc(NCC2CCCO2)nc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 4,7,7-trimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one?
The InChIKey is PYAGGCKEPRPZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-14-12(7-16(2,3)8-13(14)20)19-15(18-10)17-9-11-5-4-6-21-11/h11H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 4,7,7-trimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one?
4,7,7-trimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one has a molecular weight of 289.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-2-(oxolan-2-ylmethylamino)-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 667033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).