7-methyl-2-(oxolan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one

C14H19N3O2 — CID 665450

IUPAC7-methyl-2-(oxolan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(NCC3CCCO3)nc2C1
InChIInChI=1S/C14H19N3O2/c1-9-5-12-11(13(18)6-9)8-16-14(17-12)15-7-10-3-2-4-19-10/h8-10H,2-7H2,1H3,(H,15,16,17)
InChIKeyIQLBMSRCTGEYAT-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.83
Rot. Bonds3

About 7-methyl-2-(oxolan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one

7-methyl-2-(oxolan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 665450) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 7-methyl-2-(oxolan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-methyl-2-(oxolan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID665450
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name7-methyl-2-(oxolan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(NCC3CCCO3)nc2C1
InChIInChI=1S/C14H19N3O2/c1-9-5-12-11(13(18)6-9)8-16-14(17-12)15-7-10-3-2-4-19-10/h8-10H,2-7H2,1H3,(H,15,16,17)
InChIKeyIQLBMSRCTGEYAT-UHFFFAOYSA-N
XLogP1.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(oxolan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-methyl-2-(oxolan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one (CID 665450) is 7-methyl-2-(oxolan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-methyl-2-(oxolan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-methyl-2-(oxolan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one is CC1CC(=O)c2cnc(NCC3CCCO3)nc2C1.
What is the InChIKey of 7-methyl-2-(oxolan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is IQLBMSRCTGEYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-5-12-11(13(18)6-9)8-16-14(17-12)15-7-10-3-2-4-19-10/h8-10H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 7-methyl-2-(oxolan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one?
7-methyl-2-(oxolan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 261.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(oxolan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 665450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).