1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2-one

C17H14ClF2N3O — CID 147772151

IUPAC1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2Cl)c2cc(C(C)(F)F)ccc12
InChIInChI=1S/C17H14ClF2N3O/c1-17(19,20)10-7-8-11-14(9-10)23(16(24)22-15(11)21-2)13-6-4-3-5-12(13)18/h3-9H,1-2H3,(H,21,22,24)
InChIKeyHGDJUJKASVUOHN-UHFFFAOYSA-N
MW349.77 g/mol
LogP4.19
Rot. Bonds3

About 1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2-one

1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2-one (PubChem CID 147772151) has the molecular formula C17H14ClF2N3O and a molecular weight of 349.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2-one
PubChem CID147772151
Molecular FormulaC17H14ClF2N3O
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2Cl)c2cc(C(C)(F)F)ccc12
InChIInChI=1S/C17H14ClF2N3O/c1-17(19,20)10-7-8-11-14(9-10)23(16(24)22-15(11)21-2)13-6-4-3-5-12(13)18/h3-9H,1-2H3,(H,21,22,24)
InChIKeyHGDJUJKASVUOHN-UHFFFAOYSA-N
XLogP4.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2-one (CID 147772151) is 1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2-one is CNc1nc(=O)n(-c2ccccc2Cl)c2cc(C(C)(F)F)ccc12.
What is the InChIKey of 1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2-one?
The InChIKey is HGDJUJKASVUOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3O/c1-17(19,20)10-7-8-11-14(9-10)23(16(24)22-15(11)21-2)13-6-4-3-5-12(13)18/h3-9H,1-2H3,(H,21,22,24).
What are the key properties of 1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2-one?
1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2-one has a molecular weight of 349.77 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2-one is sourced from PubChem (CID 147772151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).