7-chloro-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one

C16H12ClF2N3O — CID 151690232

IUPAC7-chloro-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one
SMILESO=c1nc(NCC(F)F)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C16H12ClF2N3O/c17-10-6-7-12-13(8-10)22(11-4-2-1-3-5-11)16(23)21-15(12)20-9-14(18)19/h1-8,14H,9H2,(H,20,21,23)
InChIKeyRCKBOTRENQKUPW-UHFFFAOYSA-N
MW335.74 g/mol
LogP3.72
Rot. Bonds4

About 7-chloro-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one

7-chloro-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one (PubChem CID 151690232) has the molecular formula C16H12ClF2N3O and a molecular weight of 335.74 g/mol. Its IUPAC name is 7-chloro-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one
PubChem CID151690232
Molecular FormulaC16H12ClF2N3O
Molecular Weight335.74 g/mol
Exact Mass335.06
IUPAC Name7-chloro-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one
SMILESO=c1nc(NCC(F)F)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C16H12ClF2N3O/c17-10-6-7-12-13(8-10)22(11-4-2-1-3-5-11)16(23)21-15(12)20-9-14(18)19/h1-8,14H,9H2,(H,20,21,23)
InChIKeyRCKBOTRENQKUPW-UHFFFAOYSA-N
XLogP3.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one
CID 150331522
MAT2A inhibitor 3
CID 150703860
7-Chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
CID 155899145
7-Chloro-4-(dimethylamino)quinazolin-2-ol
CID 133054303
4-(Benzylamino)-1,2-dihydroquinazolin-2-one
CID 25153233
Imidazo(1,2-c)quinazoline, 5-(4-chlorophenyl)-2,3,5,6-tetrahydro-
CID 211824
7-Chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one
CID 166627659
7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one
CID 166629570
4-(Methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)hydroquinazolin-2-one
CID 146970364
1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2(1H)-one
CID 147772151
6-chloro-1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-quinazolin-2(1H)-one
CID 147854736
1-Phenyl-4-[(2,2,2-trifluoroethyl)amino]-7-(trifluoromethyphydroquinazolin-2-one
CID 148228893

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one?
The IUPAC name of 7-chloro-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one (CID 151690232) is 7-chloro-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one.
What is the SMILES notation for 7-chloro-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one?
The canonical SMILES for 7-chloro-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one is O=c1nc(NCC(F)F)c2ccc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of 7-chloro-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one?
The InChIKey is RCKBOTRENQKUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O/c17-10-6-7-12-13(8-10)22(11-4-2-1-3-5-11)16(23)21-15(12)20-9-14(18)19/h1-8,14H,9H2,(H,20,21,23).
What are the key properties of 7-chloro-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one?
7-chloro-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one has a molecular weight of 335.74 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one is sourced from PubChem (CID 151690232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).