(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

C22H22FN5O2S — CID 178071774

IUPAC(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
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)n3c(nc12)-c1ccc(C#N)nc1CC3
InChIInChI=1S/C22H22FN5O2S/c1-12(27-31(30)22(2,3)4)16-9-13(23)10-17-19(16)26-20-15-6-5-14(11-24)25-18(15)7-8-28(20)21(17)29/h5-6,9-10,12,27H,7-8H2,1-4H3/t12-,31-/m1/s1
InChIKeyRCAKRYJAKRNQQJ-MDQXEJNYSA-N
MW439.52 g/mol
LogP3.14
Rot. Bonds3

About (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

(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 (PubChem CID 178071774) has the molecular formula C22H22FN5O2S and a molecular weight of 439.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID178071774
Molecular FormulaC22H22FN5O2S
Molecular Weight439.52 g/mol
Exact Mass439.15
IUPAC Name(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
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)n3c(nc12)-c1ccc(C#N)nc1CC3
InChIInChI=1S/C22H22FN5O2S/c1-12(27-31(30)22(2,3)4)16-9-13(23)10-17-19(16)26-20-15-6-5-14(11-24)25-18(15)7-8-28(20)21(17)29/h5-6,9-10,12,27H,7-8H2,1-4H3/t12-,31-/m1/s1
InChIKeyRCAKRYJAKRNQQJ-MDQXEJNYSA-N
XLogP3.14
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 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

(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)-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
(R)-N-[(1R)-1-[6-fluoro-3-methyl-2-(oxan-4-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 170753107
(NE,R)-N-[1-(3-chloro-10-fluoro-8-oxo-5,6-dihydro-1,6-naphthyridino[5,6-b]quinazolin-12-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 178071796
N-[(1R)-1-(6-cyano-3-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 170619230
(R)-N-[(1R)-1-(3-cyano-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 177315231
(R)-2-methyl-N-[(1R)-1-(7-methyl-9-oxospiro[1,2-dihydropyrrolo[2,1-b]quinazoline-3,1'-cyclopentane]-5-yl)ethyl]propane-2-sulfinamide
CID 177369948
(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
(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-(9-fluoro-7-oxo-5,6-dihydrochromeno[2,3-f]quinolin-11-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 178071761
(R)-N-[(1R)-1-[2-(6-iodo-3-pyridinyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 169154802
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 138690058

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H](N[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)n3c(nc12)-c1ccc(C#N)nc1CC3.
What is the InChIKey of (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?
The InChIKey is RCAKRYJAKRNQQJ-MDQXEJNYSA-N. The full InChI is InChI=1S/C22H22FN5O2S/c1-12(27-31(30)22(2,3)4)16-9-13(23)10-17-19(16)26-20-15-6-5-14(11-24)25-18(15)7-8-28(20)21(17)29/h5-6,9-10,12,27H,7-8H2,1-4H3/t12-,31-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 439.52 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 178071774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).