1-propan-2-yl-3,4-dihydroquinazolin-2-one

C11H14N2O — CID 58860770

IUPAC1-propan-2-yl-3,4-dihydroquinazolin-2-one
SMILESCC(C)N1C(=O)NCc2ccccc21
InChIInChI=1S/C11H14N2O/c1-8(2)13-10-6-4-3-5-9(10)7-12-11(13)14/h3-6,8H,7H2,1-2H3,(H,12,14)
InChIKeyLLUIIEXKKRKPSS-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.12
Rot. Bonds1

About 1-propan-2-yl-3,4-dihydroquinazolin-2-one

1-propan-2-yl-3,4-dihydroquinazolin-2-one (PubChem CID 58860770) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-propan-2-yl-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3,4-dihydroquinazolin-2-one
PubChem CID58860770
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-propan-2-yl-3,4-dihydroquinazolin-2-one
SMILESCC(C)N1C(=O)NCc2ccccc21
InChIInChI=1S/C11H14N2O/c1-8(2)13-10-6-4-3-5-9(10)7-12-11(13)14/h3-6,8H,7H2,1-2H3,(H,12,14)
InChIKeyLLUIIEXKKRKPSS-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3,4-dihydroquinazolin-2-one?
The IUPAC name of 1-propan-2-yl-3,4-dihydroquinazolin-2-one (CID 58860770) is 1-propan-2-yl-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 1-propan-2-yl-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 1-propan-2-yl-3,4-dihydroquinazolin-2-one is CC(C)N1C(=O)NCc2ccccc21.
What is the InChIKey of 1-propan-2-yl-3,4-dihydroquinazolin-2-one?
The InChIKey is LLUIIEXKKRKPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(2)13-10-6-4-3-5-9(10)7-12-11(13)14/h3-6,8H,7H2,1-2H3,(H,12,14).
What are the key properties of 1-propan-2-yl-3,4-dihydroquinazolin-2-one?
1-propan-2-yl-3,4-dihydroquinazolin-2-one has a molecular weight of 190.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 58860770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).