1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione

C12H10F2N2O3 — CID 11265642

IUPAC1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione
SMILESCOc1c(F)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12
InChIInChI=1S/C12H10F2N2O3/c1-19-10-8(14)7(13)4-6-9(10)16(5-2-3-5)12(18)15-11(6)17/h4-5H,2-3H2,1H3,(H,15,17,18)
InChIKeyBCZJHULRTYMTDK-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.31
Rot. Bonds2

About 1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione

1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione (PubChem CID 11265642) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is 1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione
PubChem CID11265642
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione
SMILESCOc1c(F)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12
InChIInChI=1S/C12H10F2N2O3/c1-19-10-8(14)7(13)4-6-9(10)16(5-2-3-5)12(18)15-11(6)17/h4-5H,2-3H2,1H3,(H,15,17,18)
InChIKeyBCZJHULRTYMTDK-UHFFFAOYSA-N
XLogP1.31
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione?
The IUPAC name of 1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione (CID 11265642) is 1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione?
The canonical SMILES for 1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione is COc1c(F)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione?
The InChIKey is BCZJHULRTYMTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3/c1-19-10-8(14)7(13)4-6-9(10)16(5-2-3-5)12(18)15-11(6)17/h4-5H,2-3H2,1H3,(H,15,17,18).
What are the key properties of 1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione?
1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione has a molecular weight of 268.22 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione is sourced from PubChem (CID 11265642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).