2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C14H20N2O2 — CID 116728284

IUPAC2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCCC(OC)c1ncc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C14H20N2O2/c1-5-12(18-4)13-15-8-9-10(16-13)6-14(2,3)7-11(9)17/h8,12H,5-7H2,1-4H3
InChIKeyFUHQXTPCVNLNNQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.73
Rot. Bonds3

About 2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 116728284) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID116728284
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCCC(OC)c1ncc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C14H20N2O2/c1-5-12(18-4)13-15-8-9-10(16-13)6-14(2,3)7-11(9)17/h8,12H,5-7H2,1-4H3
InChIKeyFUHQXTPCVNLNNQ-UHFFFAOYSA-N
XLogP2.73
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 116728284) is 2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CCC(OC)c1ncc2c(n1)CC(C)(C)CC2=O.
What is the InChIKey of 2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is FUHQXTPCVNLNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-12(18-4)13-15-8-9-10(16-13)6-14(2,3)7-11(9)17/h8,12H,5-7H2,1-4H3.
What are the key properties of 2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 248.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 116728284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).