7-chloro-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one

C9H6ClF3N2O2 — CID 139035379

IUPAC7-chloro-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
SMILESO=C1Nc2cc(Cl)ccc2C(O)(C(F)(F)F)N1
InChIInChI=1S/C9H6ClF3N2O2/c10-4-1-2-5-6(3-4)14-7(16)15-8(5,17)9(11,12)13/h1-3,17H,(H2,14,15,16)
InChIKeySNBFNCGZPDGWIL-UHFFFAOYSA-N
MW266.61 g/mol
LogP2.18
Rot. Bonds

About 7-chloro-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one

7-chloro-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one (PubChem CID 139035379) has the molecular formula C9H6ClF3N2O2 and a molecular weight of 266.61 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
PubChem CID139035379
Molecular FormulaC9H6ClF3N2O2
Molecular Weight266.61 g/mol
Exact Mass266.01
IUPAC Name7-chloro-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
SMILESO=C1Nc2cc(Cl)ccc2C(O)(C(F)(F)F)N1
InChIInChI=1S/C9H6ClF3N2O2/c10-4-1-2-5-6(3-4)14-7(16)15-8(5,17)9(11,12)13/h1-3,17H,(H2,14,15,16)
InChIKeySNBFNCGZPDGWIL-UHFFFAOYSA-N
XLogP2.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.61
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one (CID 139035379) is 7-chloro-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one is O=C1Nc2cc(Cl)ccc2C(O)(C(F)(F)F)N1.
What is the InChIKey of 7-chloro-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one?
The InChIKey is SNBFNCGZPDGWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2O2/c10-4-1-2-5-6(3-4)14-7(16)15-8(5,17)9(11,12)13/h1-3,17H,(H2,14,15,16).
What are the key properties of 7-chloro-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one?
7-chloro-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one has a molecular weight of 266.61 g/mol, XLogP of 2.18, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one is sourced from PubChem (CID 139035379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).