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

C23H27N3O3S — CID 169154701

IUPAC(NZ,R)-N-[1-[2-(2-methoxyphenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1ccccc1-c1nc2c(/C(C)=N\[S@](=O)C(C)(C)C)cc(C)cc2c(=O)n1C
InChIInChI=1S/C23H27N3O3S/c1-14-12-17(15(2)25-30(28)23(3,4)5)20-18(13-14)22(27)26(6)21(24-20)16-10-8-9-11-19(16)29-7/h8-13H,1-7H3/b25-15-/t30-/m1/s1
InChIKeyYIBIBWDLQFHKAV-HOPWNJNGSA-N
MW425.55 g/mol
LogP4.19
Rot. Bonds4

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

(NZ,R)-N-[1-[2-(2-methoxyphenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 169154701) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is (NZ,R)-N-[1-[2-(2-methoxyphenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,R)-N-[1-[2-(2-methoxyphenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID169154701
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name(NZ,R)-N-[1-[2-(2-methoxyphenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1ccccc1-c1nc2c(/C(C)=N\[S@](=O)C(C)(C)C)cc(C)cc2c(=O)n1C
InChIInChI=1S/C23H27N3O3S/c1-14-12-17(15(2)25-30(28)23(3,4)5)20-18(13-14)22(27)26(6)21(24-20)16-10-8-9-11-19(16)29-7/h8-13H,1-7H3/b25-15-/t30-/m1/s1
InChIKeyYIBIBWDLQFHKAV-HOPWNJNGSA-N
XLogP4.19
TPSA73.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-[2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 137028481
2-(2-methoxyphenyl)-3H-quinazolin-4-one
CID 135436005
3-Hexyl-2-(4-methoxyphenyl)quinazolin-4-one
CID 145969308
8-(2-Methoxyphenyl)-3,6-dimethylquinazolin-4-one
CID 164627429
2-(2-Methoxy-phenyl)-3-phenethyl-3H-quinazolin-4-one
CID 44390065
2-(2-Methoxyphenyl)-1-propan-2-ylquinazolin-4-one
CID 13521136
N-[(2-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135422756
2-(4-Methoxyphenyl)-3-methylquinazolin-4-one
CID 12626586
6-(3-Fluoro-4-methoxyphenyl)-3-methyl-2-phenyl-quinazolin-4(3h)-one
CID 129766449
N-[(2-methoxyphenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135417654
3-benzyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]quinazolin-4-one
CID 53245564
2-(2-Fluoro-6-methoxyphenyl)-3,7-dimethylquinazolin-4-one
CID 67518414

Frequently Asked Questions

What is the IUPAC name of (NZ,R)-N-[1-[2-(2-methoxyphenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ,R)-N-[1-[2-(2-methoxyphenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide (CID 169154701) is (NZ,R)-N-[1-[2-(2-methoxyphenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ,R)-N-[1-[2-(2-methoxyphenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ,R)-N-[1-[2-(2-methoxyphenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide is COc1ccccc1-c1nc2c(/C(C)=N\[S@](=O)C(C)(C)C)cc(C)cc2c(=O)n1C.
What is the InChIKey of (NZ,R)-N-[1-[2-(2-methoxyphenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is YIBIBWDLQFHKAV-HOPWNJNGSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-14-12-17(15(2)25-30(28)23(3,4)5)20-18(13-14)22(27)26(6)21(24-20)16-10-8-9-11-19(16)29-7/h8-13H,1-7H3/b25-15-/t30-/m1/s1.
What are the key properties of (NZ,R)-N-[1-[2-(2-methoxyphenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?
(NZ,R)-N-[1-[2-(2-methoxyphenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 425.55 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,R)-N-[1-[2-(2-methoxyphenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 169154701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).