(4R)-6-chloro-3-cyclopropyl-4-hydroxy-4-(trifluoromethyl)-1H-quinazolin-2-one

C12H10ClF3N2O2 — CID 3013476

IUPAC(4R)-6-chloro-3-cyclopropyl-4-hydroxy-4-(trifluoromethyl)-1H-quinazolin-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@](O)(C(F)(F)F)N1C1CC1
InChIInChI=1S/C12H10ClF3N2O2/c13-6-1-4-9-8(5-6)11(20,12(14,15)16)18(7-2-3-7)10(19)17-9/h1,4-5,7,20H,2-3H2,(H,17,19)/t11-/m1/s1
InChIKeyOMCLZSZTCMPBIV-LLVKDONJSA-N
MW306.67 g/mol
LogP3.06
Rot. Bonds1

About (4R)-6-chloro-3-cyclopropyl-4-hydroxy-4-(trifluoromethyl)-1H-quinazolin-2-one

(4R)-6-chloro-3-cyclopropyl-4-hydroxy-4-(trifluoromethyl)-1H-quinazolin-2-one (PubChem CID 3013476) has the molecular formula C12H10ClF3N2O2 and a molecular weight of 306.67 g/mol. Its IUPAC name is (4R)-6-chloro-3-cyclopropyl-4-hydroxy-4-(trifluoromethyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name(4R)-6-chloro-3-cyclopropyl-4-hydroxy-4-(trifluoromethyl)-1H-quinazolin-2-one
PubChem CID3013476
Molecular FormulaC12H10ClF3N2O2
Molecular Weight306.67 g/mol
Exact Mass306.04
IUPAC Name(4R)-6-chloro-3-cyclopropyl-4-hydroxy-4-(trifluoromethyl)-1H-quinazolin-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@](O)(C(F)(F)F)N1C1CC1
InChIInChI=1S/C12H10ClF3N2O2/c13-6-1-4-9-8(5-6)11(20,12(14,15)16)18(7-2-3-7)10(19)17-9/h1,4-5,7,20H,2-3H2,(H,17,19)/t11-/m1/s1
InChIKeyOMCLZSZTCMPBIV-LLVKDONJSA-N
XLogP3.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.67
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-3-cyclopropyl-4-hydroxy-4-(trifluoromethyl)-1H-quinazolin-2-one?
The IUPAC name of (4R)-6-chloro-3-cyclopropyl-4-hydroxy-4-(trifluoromethyl)-1H-quinazolin-2-one (CID 3013476) is (4R)-6-chloro-3-cyclopropyl-4-hydroxy-4-(trifluoromethyl)-1H-quinazolin-2-one.
What is the SMILES notation for (4R)-6-chloro-3-cyclopropyl-4-hydroxy-4-(trifluoromethyl)-1H-quinazolin-2-one?
The canonical SMILES for (4R)-6-chloro-3-cyclopropyl-4-hydroxy-4-(trifluoromethyl)-1H-quinazolin-2-one is O=C1Nc2ccc(Cl)cc2[C@@](O)(C(F)(F)F)N1C1CC1.
What is the InChIKey of (4R)-6-chloro-3-cyclopropyl-4-hydroxy-4-(trifluoromethyl)-1H-quinazolin-2-one?
The InChIKey is OMCLZSZTCMPBIV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H10ClF3N2O2/c13-6-1-4-9-8(5-6)11(20,12(14,15)16)18(7-2-3-7)10(19)17-9/h1,4-5,7,20H,2-3H2,(H,17,19)/t11-/m1/s1.
What are the key properties of (4R)-6-chloro-3-cyclopropyl-4-hydroxy-4-(trifluoromethyl)-1H-quinazolin-2-one?
(4R)-6-chloro-3-cyclopropyl-4-hydroxy-4-(trifluoromethyl)-1H-quinazolin-2-one has a molecular weight of 306.67 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-3-cyclopropyl-4-hydroxy-4-(trifluoromethyl)-1H-quinazolin-2-one is sourced from PubChem (CID 3013476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).