(NZ,R)-N-[1-[3-(difluoromethyl)-6-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide

C20H26F2N4O3S — CID 170753627

IUPAC(NZ,R)-N-[1-[3-(difluoromethyl)-6-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N/[S@](=O)C(C)(C)C)c1cc(C)cc2c(=O)n(C(F)F)c(N3CCOCC3)nc12
InChIInChI=1S/C20H26F2N4O3S/c1-12-10-14(13(2)24-30(28)20(3,4)5)16-15(11-12)17(27)26(18(21)22)19(23-16)25-6-8-29-9-7-25/h10-11,18H,6-9H2,1-5H3/b24-13-/t30-/m1/s1
InChIKeyZDVSVZVMWWRNHQ-HPEYOZPNSA-N
MW440.52 g/mol
LogP3.21
Rot. Bonds4

About (NZ,R)-N-[1-[3-(difluoromethyl)-6-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide

(NZ,R)-N-[1-[3-(difluoromethyl)-6-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 170753627) has the molecular formula C20H26F2N4O3S and a molecular weight of 440.52 g/mol. Its IUPAC name is (NZ,R)-N-[1-[3-(difluoromethyl)-6-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,R)-N-[1-[3-(difluoromethyl)-6-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID170753627
Molecular FormulaC20H26F2N4O3S
Molecular Weight440.52 g/mol
Exact Mass440.17
IUPAC Name(NZ,R)-N-[1-[3-(difluoromethyl)-6-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N/[S@](=O)C(C)(C)C)c1cc(C)cc2c(=O)n(C(F)F)c(N3CCOCC3)nc12
InChIInChI=1S/C20H26F2N4O3S/c1-12-10-14(13(2)24-30(28)20(3,4)5)16-15(11-12)17(27)26(18(21)22)19(23-16)25-6-8-29-9-7-25/h10-11,18H,6-9H2,1-5H3/b24-13-/t30-/m1/s1
InChIKeyZDVSVZVMWWRNHQ-HPEYOZPNSA-N
XLogP3.21
TPSA76.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ,R)-N-[1-[3-(difluoromethyl)-6-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ,R)-N-[1-[3-(difluoromethyl)-6-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide (CID 170753627) is (NZ,R)-N-[1-[3-(difluoromethyl)-6-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ,R)-N-[1-[3-(difluoromethyl)-6-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ,R)-N-[1-[3-(difluoromethyl)-6-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide is C/C(=N/[S@](=O)C(C)(C)C)c1cc(C)cc2c(=O)n(C(F)F)c(N3CCOCC3)nc12.
What is the InChIKey of (NZ,R)-N-[1-[3-(difluoromethyl)-6-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is ZDVSVZVMWWRNHQ-HPEYOZPNSA-N. The full InChI is InChI=1S/C20H26F2N4O3S/c1-12-10-14(13(2)24-30(28)20(3,4)5)16-15(11-12)17(27)26(18(21)22)19(23-16)25-6-8-29-9-7-25/h10-11,18H,6-9H2,1-5H3/b24-13-/t30-/m1/s1.
What are the key properties of (NZ,R)-N-[1-[3-(difluoromethyl)-6-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
(NZ,R)-N-[1-[3-(difluoromethyl)-6-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 440.52 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,R)-N-[1-[3-(difluoromethyl)-6-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170753627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).