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

C14H20N2O — CID 54778208

IUPAC2-propan-2-yl-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1C(C)C
InChIInChI=1S/C14H20N2O/c1-4-9-16-13(10(2)3)15-12-8-6-5-7-11(12)14(16)17/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyNPALUXXBYFRYGS-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.95
Rot. Bonds3

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

2-propan-2-yl-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 54778208) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-propan-2-yl-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID54778208
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-propan-2-yl-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1C(C)C
InChIInChI=1S/C14H20N2O/c1-4-9-16-13(10(2)3)15-12-8-6-5-7-11(12)14(16)17/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyNPALUXXBYFRYGS-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-propan-2-yl-3-propyl-1,2-dihydroquinazolin-4-one (CID 54778208) is 2-propan-2-yl-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-propan-2-yl-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-propan-2-yl-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccccc2NC1C(C)C.
What is the InChIKey of 2-propan-2-yl-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is NPALUXXBYFRYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-9-16-13(10(2)3)15-12-8-6-5-7-11(12)14(16)17/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of 2-propan-2-yl-3-propyl-1,2-dihydroquinazolin-4-one?
2-propan-2-yl-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 232.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).