8-chloro-2-(1-fluorocyclopropyl)-6-[2-methoxyethyl(methyl)amino]-3H-quinazolin-4-one

C15H17ClFN3O2 — CID 144986113

IUPAC8-chloro-2-(1-fluorocyclopropyl)-6-[2-methoxyethyl(methyl)amino]-3H-quinazolin-4-one
SMILESCOCCN(C)c1cc(Cl)c2nc(C3(F)CC3)[nH]c(=O)c2c1
InChIInChI=1S/C15H17ClFN3O2/c1-20(5-6-22-2)9-7-10-12(11(16)8-9)18-14(19-13(10)21)15(17)3-4-15/h7-8H,3-6H2,1-2H3,(H,18,19,21)
InChIKeyAXDRNWVSSGZZEY-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.62
Rot. Bonds5

About 8-chloro-2-(1-fluorocyclopropyl)-6-[2-methoxyethyl(methyl)amino]-3H-quinazolin-4-one

8-chloro-2-(1-fluorocyclopropyl)-6-[2-methoxyethyl(methyl)amino]-3H-quinazolin-4-one (PubChem CID 144986113) has the molecular formula C15H17ClFN3O2 and a molecular weight of 325.77 g/mol. Its IUPAC name is 8-chloro-2-(1-fluorocyclopropyl)-6-[2-methoxyethyl(methyl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-chloro-2-(1-fluorocyclopropyl)-6-[2-methoxyethyl(methyl)amino]-3H-quinazolin-4-one
PubChem CID144986113
Molecular FormulaC15H17ClFN3O2
Molecular Weight325.77 g/mol
Exact Mass325.10
IUPAC Name8-chloro-2-(1-fluorocyclopropyl)-6-[2-methoxyethyl(methyl)amino]-3H-quinazolin-4-one
SMILESCOCCN(C)c1cc(Cl)c2nc(C3(F)CC3)[nH]c(=O)c2c1
InChIInChI=1S/C15H17ClFN3O2/c1-20(5-6-22-2)9-7-10-12(11(16)8-9)18-14(19-13(10)21)15(17)3-4-15/h7-8H,3-6H2,1-2H3,(H,18,19,21)
InChIKeyAXDRNWVSSGZZEY-UHFFFAOYSA-N
XLogP2.62
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(1-fluorocyclopropyl)-6-[2-methoxyethyl(methyl)amino]-3H-quinazolin-4-one?
The IUPAC name of 8-chloro-2-(1-fluorocyclopropyl)-6-[2-methoxyethyl(methyl)amino]-3H-quinazolin-4-one (CID 144986113) is 8-chloro-2-(1-fluorocyclopropyl)-6-[2-methoxyethyl(methyl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 8-chloro-2-(1-fluorocyclopropyl)-6-[2-methoxyethyl(methyl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 8-chloro-2-(1-fluorocyclopropyl)-6-[2-methoxyethyl(methyl)amino]-3H-quinazolin-4-one is COCCN(C)c1cc(Cl)c2nc(C3(F)CC3)[nH]c(=O)c2c1.
What is the InChIKey of 8-chloro-2-(1-fluorocyclopropyl)-6-[2-methoxyethyl(methyl)amino]-3H-quinazolin-4-one?
The InChIKey is AXDRNWVSSGZZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O2/c1-20(5-6-22-2)9-7-10-12(11(16)8-9)18-14(19-13(10)21)15(17)3-4-15/h7-8H,3-6H2,1-2H3,(H,18,19,21).
What are the key properties of 8-chloro-2-(1-fluorocyclopropyl)-6-[2-methoxyethyl(methyl)amino]-3H-quinazolin-4-one?
8-chloro-2-(1-fluorocyclopropyl)-6-[2-methoxyethyl(methyl)amino]-3H-quinazolin-4-one has a molecular weight of 325.77 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(1-fluorocyclopropyl)-6-[2-methoxyethyl(methyl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 144986113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).