2-propyl-3H-quinazolin-4-one

C11H12N2O — CID 135400628

IUPAC2-propyl-3H-quinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H12N2O/c1-2-5-10-12-9-7-4-3-6-8(9)11(14)13-10/h3-4,6-7H,2,5H2,1H3,(H,12,13,14)
InChIKeyMFAZKHYKVSPPIB-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.88
Rot. Bonds2

About 2-propyl-3H-quinazolin-4-one

2-propyl-3H-quinazolin-4-one (PubChem CID 135400628) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-propyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-propyl-3H-quinazolin-4-one
PubChem CID135400628
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-propyl-3H-quinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H12N2O/c1-2-5-10-12-9-7-4-3-6-8(9)11(14)13-10/h3-4,6-7H,2,5H2,1H3,(H,12,13,14)
InChIKeyMFAZKHYKVSPPIB-UHFFFAOYSA-N
XLogP1.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-3H-quinazolin-4-one?
The IUPAC name of 2-propyl-3H-quinazolin-4-one (CID 135400628) is 2-propyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-propyl-3H-quinazolin-4-one?
The canonical SMILES for 2-propyl-3H-quinazolin-4-one is CCCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-propyl-3H-quinazolin-4-one?
The InChIKey is MFAZKHYKVSPPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-5-10-12-9-7-4-3-6-8(9)11(14)13-10/h3-4,6-7H,2,5H2,1H3,(H,12,13,14).
What are the key properties of 2-propyl-3H-quinazolin-4-one?
2-propyl-3H-quinazolin-4-one has a molecular weight of 188.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3H-quinazolin-4-one is sourced from PubChem (CID 135400628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).