1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one

C19H15ClF3N3O2 — CID 148724212

IUPAC1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one
SMILESO=c1nc(NCC2CC2)c2ccc(OC(F)(F)F)cc2n1-c1ccccc1Cl
InChIInChI=1S/C19H15ClF3N3O2/c20-14-3-1-2-4-15(14)26-16-9-12(28-19(21,22)23)7-8-13(16)17(25-18(26)27)24-10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,24,25,27)
InChIKeyNZRKXIHCKJTDFZ-UHFFFAOYSA-N
MW409.80 g/mol
LogP4.76
Rot. Bonds5

About 1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one

1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one (PubChem CID 148724212) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one
PubChem CID148724212
Molecular FormulaC19H15ClF3N3O2
Molecular Weight409.80 g/mol
Exact Mass409.08
IUPAC Name1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one
SMILESO=c1nc(NCC2CC2)c2ccc(OC(F)(F)F)cc2n1-c1ccccc1Cl
InChIInChI=1S/C19H15ClF3N3O2/c20-14-3-1-2-4-15(14)26-16-9-12(28-19(21,22)23)7-8-13(16)17(25-18(26)27)24-10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,24,25,27)
InChIKeyNZRKXIHCKJTDFZ-UHFFFAOYSA-N
XLogP4.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.80
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one (CID 148724212) is 1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one is O=c1nc(NCC2CC2)c2ccc(OC(F)(F)F)cc2n1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one?
The InChIKey is NZRKXIHCKJTDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c20-14-3-1-2-4-15(14)26-16-9-12(28-19(21,22)23)7-8-13(16)17(25-18(26)27)24-10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,24,25,27).
What are the key properties of 1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one?
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one has a molecular weight of 409.80 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one is sourced from PubChem (CID 148724212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).