N-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

C22H23N5O4S — CID 145382824

IUPACN-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(C#N)c(N4CCO[C@@H](C)C4)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C22H23N5O4S/c1-14-13-27(6-7-31-14)21-17(10-23)12-24-19-5-4-15(8-18(19)21)16-9-20(26-32(3,28)29)22(30-2)25-11-16/h4-5,8-9,11-12,14,26H,6-7,13H2,1-3H3/t14-/m0/s1
InChIKeyHCMURZGUUMCJSZ-AWEZNQCLSA-N
MW453.52 g/mol
LogP2.77
Rot. Bonds5

About N-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 145382824) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID145382824
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC NameN-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(C#N)c(N4CCO[C@@H](C)C4)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C22H23N5O4S/c1-14-13-27(6-7-31-14)21-17(10-23)12-24-19-5-4-15(8-18(19)21)16-9-20(26-32(3,28)29)22(30-2)25-11-16/h4-5,8-9,11-12,14,26H,6-7,13H2,1-3H3/t14-/m0/s1
InChIKeyHCMURZGUUMCJSZ-AWEZNQCLSA-N
XLogP2.77
TPSA117.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 145382884
N-[5-[3-cyano-4-[4-[(E)-4-oxopent-2-enoyl]piperazin-1-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 169171484
N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 155513615
N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide
CID 155541900
N-[5-[6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1-oxoisoindol-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 162624741
N-(5-isoquinolin-7-yl-2-methoxy-3-pyridinyl)methanesulfonamide
CID 155512208
tert-butyl 4-[[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]piperidine-1-carboxylate
CID 155534617
N-[2-methoxy-5-(7-trimethylsilyl-1,3-dihydro-2-benzofuran-5-yl)-3-pyridinyl]methanesulfonamide
CID 134959271
4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile
CID 43669146
N-[2-methoxy-5-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]methanesulfonamide
CID 77107728
4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile
CID 79033910
N-[2-chloro-5-[3-cyano-4-(3-ethyl-2-fluoroanilino)quinolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 170262866

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 145382824) is N-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2ccc3ncc(C#N)c(N4CCO[C@@H](C)C4)c3c2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is HCMURZGUUMCJSZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H23N5O4S/c1-14-13-27(6-7-31-14)21-17(10-23)12-24-19-5-4-15(8-18(19)21)16-9-20(26-32(3,28)29)22(30-2)25-11-16/h4-5,8-9,11-12,14,26H,6-7,13H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 453.52 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-cyano-4-[(2S)-2-methylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 145382824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).