6-chloro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one

C17H14ClF3N2O2 — CID 15489218

IUPAC6-chloro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one
SMILESC[C@H](c1ccccc1)N1C(=O)Nc2ccc(Cl)cc2C1(O)C(F)(F)F
InChIInChI=1S/C17H14ClF3N2O2/c1-10(11-5-3-2-4-6-11)23-15(24)22-14-8-7-12(18)9-13(14)16(23,25)17(19,20)21/h2-10,25H,1H3,(H,22,24)/t10-,16?/m1/s1
InChIKeyYAJQCUWQFWPARC-HQNRFAHOSA-N
MW370.76 g/mol
LogP4.66
Rot. Bonds2

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

6-chloro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one (PubChem CID 15489218) has the molecular formula C17H14ClF3N2O2 and a molecular weight of 370.76 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one
PubChem CID15489218
Molecular FormulaC17H14ClF3N2O2
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC Name6-chloro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one
SMILESC[C@H](c1ccccc1)N1C(=O)Nc2ccc(Cl)cc2C1(O)C(F)(F)F
InChIInChI=1S/C17H14ClF3N2O2/c1-10(11-5-3-2-4-6-11)23-15(24)22-14-8-7-12(18)9-13(14)16(23,25)17(19,20)21/h2-10,25H,1H3,(H,22,24)/t10-,16?/m1/s1
InChIKeyYAJQCUWQFWPARC-HQNRFAHOSA-N
XLogP4.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one?
The IUPAC name of 6-chloro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one (CID 15489218) is 6-chloro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one.
What is the SMILES notation for 6-chloro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one?
The canonical SMILES for 6-chloro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one is C[C@H](c1ccccc1)N1C(=O)Nc2ccc(Cl)cc2C1(O)C(F)(F)F.
What is the InChIKey of 6-chloro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one?
The InChIKey is YAJQCUWQFWPARC-HQNRFAHOSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c1-10(11-5-3-2-4-6-11)23-15(24)22-14-8-7-12(18)9-13(14)16(23,25)17(19,20)21/h2-10,25H,1H3,(H,22,24)/t10-,16?/m1/s1.
What are the key properties of 6-chloro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one?
6-chloro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one has a molecular weight of 370.76 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one is sourced from PubChem (CID 15489218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).