(4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one

C24H18ClF5N2O2 — CID 132570835

IUPAC(4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one
SMILESCOc1ccc(CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)C(F)(F)F)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C24H18ClF5N2O2/c1-34-18-10-7-15(8-11-18)14-32-20-12-9-17(25)13-19(20)22(31-21(32)33,16-5-3-2-4-6-16)23(26,27)24(28,29)30/h2-13H,14H2,1H3,(H,31,33)/t22-/m1/s1
InChIKeyONDDRDHAFUOSTE-JOCHJYFZSA-N
MW496.86 g/mol
LogP6.52
Rot. Bonds5

About (4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one

(4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one (PubChem CID 132570835) has the molecular formula C24H18ClF5N2O2 and a molecular weight of 496.86 g/mol. Its IUPAC name is (4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one.

Molecular Properties

Compound Name(4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one
PubChem CID132570835
Molecular FormulaC24H18ClF5N2O2
Molecular Weight496.86 g/mol
Exact Mass496.10
IUPAC Name(4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one
SMILESCOc1ccc(CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)C(F)(F)F)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C24H18ClF5N2O2/c1-34-18-10-7-15(8-11-18)14-32-20-12-9-17(25)13-19(20)22(31-21(32)33,16-5-3-2-4-6-16)23(26,27)24(28,29)30/h2-13H,14H2,1H3,(H,31,33)/t22-/m1/s1
InChIKeyONDDRDHAFUOSTE-JOCHJYFZSA-N
XLogP6.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.86
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-4-(2-cyclopropylethynyl)-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-3H-quinazolin-2-one
CID 10982954
(4S)-6-chloro-4-(2-cyclopropylethynyl)-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-3H-quinazolin-2-one
CID 10972132
(4S)-6-chloro-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-3,1-benzoxazin-2-one
CID 71028251
4-butyl-6-chloro-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-3H-quinazolin-2-one
CID 54451058
5'-chloro-1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 3161648
(11aR)-2-chloro-10-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-11a-(trifluoromethyl)-11H-pyrido[1,2-c]quinazoline-6,8-dione
CID 139188091
(1R,2R,3S)-2-benzoyl-1'-benzyl-5'-chloro-3-(4-methoxyphenyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 135027515
(4R)-6-chloro-4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazolin-2-one
CID 102583130
1-benzyl-6-chloro-3-[(4-methoxyphenyl)methyl]-4H-quinazolin-2-one
CID 67188968
3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one
CID 17344461
6-chloro-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(2-pyrazin-2-ylethynyl)-3H-quinazolin-2-one
CID 10343451
methyl (1R)-9-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-1-phenyl-10b-(trifluoromethyl)imidazo[1,5-c]quinazoline-1-carboxylate
CID 102368554

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one?
The IUPAC name of (4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one (CID 132570835) is (4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one.
What is the SMILES notation for (4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one?
The canonical SMILES for (4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one is COc1ccc(CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)C(F)(F)F)c3cc(Cl)ccc32)cc1.
What is the InChIKey of (4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one?
The InChIKey is ONDDRDHAFUOSTE-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H18ClF5N2O2/c1-34-18-10-7-15(8-11-18)14-32-20-12-9-17(25)13-19(20)22(31-21(32)33,16-5-3-2-4-6-16)23(26,27)24(28,29)30/h2-13H,14H2,1H3,(H,31,33)/t22-/m1/s1.
What are the key properties of (4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one?
(4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one has a molecular weight of 496.86 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one is sourced from PubChem (CID 132570835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).