(R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide

C20H28FN3O2S — CID 169154705

IUPAC(R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc([C@@H](C)N[S@](=O)C(C)(C)C)c2nc(C3(F)CCC3)n(C)c(=O)c2c1
InChIInChI=1S/C20H28FN3O2S/c1-12-10-14(13(2)23-27(26)19(3,4)5)16-15(11-12)17(25)24(6)18(22-16)20(21)8-7-9-20/h10-11,13,23H,7-9H2,1-6H3/t13-,27-/m1/s1
InChIKeyAVZDXJMQWGKNDJ-PFUSGODGSA-N
MW393.53 g/mol
LogP3.70
Rot. Bonds4

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

(R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 169154705) has the molecular formula C20H28FN3O2S and a molecular weight of 393.53 g/mol. Its IUPAC name is (R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID169154705
Molecular FormulaC20H28FN3O2S
Molecular Weight393.53 g/mol
Exact Mass393.19
IUPAC Name(R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc([C@@H](C)N[S@](=O)C(C)(C)C)c2nc(C3(F)CCC3)n(C)c(=O)c2c1
InChIInChI=1S/C20H28FN3O2S/c1-12-10-14(13(2)23-27(26)19(3,4)5)16-15(11-12)17(25)24(6)18(22-16)20(21)8-7-9-20/h10-11,13,23H,7-9H2,1-6H3/t13-,27-/m1/s1
InChIKeyAVZDXJMQWGKNDJ-PFUSGODGSA-N
XLogP3.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

3-Ethyl-4-oxo-N-(propan-2-YL)-3,4-dihydroquinazoline-6-carboxamide
CID 53015890
N-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide
CID 53159144
8-[(1R)-1-aminoethyl]-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one
CID 169154491
8-Acetyl-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one
CID 169154595
(R)-N-[(1R)-1-[2-(3-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 169154625
(R)-N-[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 169154657
8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one
CID 169154684
(R)-N-[(1R)-1-[2-(3,3-difluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 169154711
8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
CID 169154717
(NZ,R)-N-[1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 169154720
(NZ,R)-N-[1-[2-(4-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 169154787
8-[(1R)-1-aminoethyl]-2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethylquinazolin-4-one
CID 169154790

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 169154705) is (R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide is Cc1cc([C@@H](C)N[S@](=O)C(C)(C)C)c2nc(C3(F)CCC3)n(C)c(=O)c2c1.
What is the InChIKey of (R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is AVZDXJMQWGKNDJ-PFUSGODGSA-N. The full InChI is InChI=1S/C20H28FN3O2S/c1-12-10-14(13(2)23-27(26)19(3,4)5)16-15(11-12)17(25)24(6)18(22-16)20(21)8-7-9-20/h10-11,13,23H,7-9H2,1-6H3/t13-,27-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 393.53 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 169154705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).