(R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide

C20H28FN3O3S — CID 170753107

IUPAC(R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)n(C)c(C3CCOCC3)nc12
InChIInChI=1S/C20H28FN3O3S/c1-12(23-28(26)20(2,3)4)15-10-14(21)11-16-17(15)22-18(24(5)19(16)25)13-6-8-27-9-7-13/h10-13,23H,6-9H2,1-5H3/t12-,28-/m1/s1
InChIKeySNYQLDJFRMHXFU-BODITIBLSA-N
MW409.53 g/mol
LogP3.08
Rot. Bonds4

About (R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 170753107) has the molecular formula C20H28FN3O3S and a molecular weight of 409.53 g/mol. Its IUPAC name is (R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID170753107
Molecular FormulaC20H28FN3O3S
Molecular Weight409.53 g/mol
Exact Mass409.18
IUPAC Name(R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)n(C)c(C3CCOCC3)nc12
InChIInChI=1S/C20H28FN3O3S/c1-12(23-28(26)20(2,3)4)15-10-14(21)11-16-17(15)22-18(24(5)19(16)25)13-6-8-27-9-7-13/h10-13,23H,6-9H2,1-5H3/t12-,28-/m1/s1
InChIKeySNYQLDJFRMHXFU-BODITIBLSA-N
XLogP3.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(1R)-1-[2-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]anilino]ethyl]-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one
CID 170753437
(R)-N-[(1R)-1-(6-methoxy-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 170753620
3,6-dimethyl-8-[(1S)-1-(2-methylsulfonylanilino)ethyl]-2-(oxan-4-yl)quinazolin-4-one
CID 170753886
(R)-N-[(1R)-1-[2-[1-(2,2-difluoroethyl)-3-methylazetidin-3-yl]-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 169154855
8-[(1R)-1-[4-fluoro-2-[(3S)-3-hydroxypiperidin-1-yl]anilino]ethyl]-3,6-dimethyl-2-(oxan-4-yl)quinazolin-4-one
CID 170753137
(R)-N-[(1R)-1-[3,6-dimethyl-2-(2-methylpyrazol-3-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 169154610
(R)-N-[(1R)-1-(10-fluoro-8-oxo-3-propan-2-yloxy-5,6-dihydro-1,6-naphthyridino[5,6-b]quinazolin-12-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 178071808
(R)-N-[(1R)-1-(3-cyano-10-fluoro-8-oxo-5,6-dihydro-1,6-naphthyridino[5,6-b]quinazolin-12-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 178071774
2-[1-[3-cyclopropyl-6-fluoro-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethoxy]benzoic acid
CID 170753575
[[(1R)-1-[6-bromo-3-cyclopropyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]amino]-tert-butyl-oxidosulfanium
CID 175998940
(R)-2-methyl-N-[(1R)-1-(7-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-5-yl)ethyl]propane-2-sulfinamide
CID 178071771
6-chloro-3-[[(1R)-1-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-fluoro-3-methyl-4-oxoquinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 176865034

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 170753107) is (R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](N[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)n(C)c(C3CCOCC3)nc12.
What is the InChIKey of (R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is SNYQLDJFRMHXFU-BODITIBLSA-N. The full InChI is InChI=1S/C20H28FN3O3S/c1-12(23-28(26)20(2,3)4)15-10-14(21)11-16-17(15)22-18(24(5)19(16)25)13-6-8-27-9-7-13/h10-13,23H,6-9H2,1-5H3/t12-,28-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 409.53 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170753107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).