2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one

C14H16N4O — CID 66139700

IUPAC2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCCn1cncc1-c1ncc2c(n1)CCCC2=O
InChIInChI=1S/C14H16N4O/c1-2-6-18-9-15-8-12(18)14-16-7-10-11(17-14)4-3-5-13(10)19/h7-9H,2-6H2,1H3
InChIKeyFERCLGUSSDXZLM-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.27
Rot. Bonds3

About 2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one

2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 66139700) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID66139700
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCCn1cncc1-c1ncc2c(n1)CCCC2=O
InChIInChI=1S/C14H16N4O/c1-2-6-18-9-15-8-12(18)14-16-7-10-11(17-14)4-3-5-13(10)19/h7-9H,2-6H2,1H3
InChIKeyFERCLGUSSDXZLM-UHFFFAOYSA-N
XLogP2.27
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 66139700) is 2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one is CCCn1cncc1-c1ncc2c(n1)CCCC2=O.
What is the InChIKey of 2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is FERCLGUSSDXZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-6-18-9-15-8-12(18)14-16-7-10-11(17-14)4-3-5-13(10)19/h7-9H,2-6H2,1H3.
What are the key properties of 2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 256.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 66139700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).