3-cyclopropyl-4aH-quinazoline-2,4-dione

C11H10N2O2 — CID 73375239

IUPAC3-cyclopropyl-4aH-quinazoline-2,4-dione
SMILESO=C1N=C2C=CC=CC2C(=O)N1C1CC1
InChIInChI=1S/C11H10N2O2/c14-10-8-3-1-2-4-9(8)12-11(15)13(10)7-5-6-7/h1-4,7-8H,5-6H2
InChIKeyBZRKVXJLALVJMO-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.29
Rot. Bonds1

About 3-cyclopropyl-4aH-quinazoline-2,4-dione

3-cyclopropyl-4aH-quinazoline-2,4-dione (PubChem CID 73375239) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-cyclopropyl-4aH-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-cyclopropyl-4aH-quinazoline-2,4-dione
PubChem CID73375239
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3-cyclopropyl-4aH-quinazoline-2,4-dione
SMILESO=C1N=C2C=CC=CC2C(=O)N1C1CC1
InChIInChI=1S/C11H10N2O2/c14-10-8-3-1-2-4-9(8)12-11(15)13(10)7-5-6-7/h1-4,7-8H,5-6H2
InChIKeyBZRKVXJLALVJMO-UHFFFAOYSA-N
XLogP1.29
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4aH-quinazoline-2,4-dione?
The IUPAC name of 3-cyclopropyl-4aH-quinazoline-2,4-dione (CID 73375239) is 3-cyclopropyl-4aH-quinazoline-2,4-dione.
What is the SMILES notation for 3-cyclopropyl-4aH-quinazoline-2,4-dione?
The canonical SMILES for 3-cyclopropyl-4aH-quinazoline-2,4-dione is O=C1N=C2C=CC=CC2C(=O)N1C1CC1.
What is the InChIKey of 3-cyclopropyl-4aH-quinazoline-2,4-dione?
The InChIKey is BZRKVXJLALVJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-10-8-3-1-2-4-9(8)12-11(15)13(10)7-5-6-7/h1-4,7-8H,5-6H2.
What are the key properties of 3-cyclopropyl-4aH-quinazoline-2,4-dione?
3-cyclopropyl-4aH-quinazoline-2,4-dione has a molecular weight of 202.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4aH-quinazoline-2,4-dione is sourced from PubChem (CID 73375239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).