N-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

C23H25N5O4S — CID 145382884

IUPACN-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(C#N)c(N4[C@H](C)COC[C@H]4C)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H25N5O4S/c1-14-12-32-13-15(2)28(14)22-18(9-24)11-25-20-6-5-16(7-19(20)22)17-8-21(27-33(4,29)30)23(31-3)26-10-17/h5-8,10-11,14-15,27H,12-13H2,1-4H3/t14-,15-/m1/s1
InChIKeyOYDCVDRMURMWIE-HUUCEWRRSA-N
MW467.55 g/mol
LogP3.16
Rot. Bonds5

About N-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 145382884) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID145382884
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC NameN-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(C#N)c(N4[C@H](C)COC[C@H]4C)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H25N5O4S/c1-14-12-32-13-15(2)28(14)22-18(9-24)11-25-20-6-5-16(7-19(20)22)17-8-21(27-33(4,29)30)23(31-3)26-10-17/h5-8,10-11,14-15,27H,12-13H2,1-4H3/t14-,15-/m1/s1
InChIKeyOYDCVDRMURMWIE-HUUCEWRRSA-N
XLogP3.16
TPSA117.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 145382884) is N-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2ccc3ncc(C#N)c(N4[C@H](C)COC[C@H]4C)c3c2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is OYDCVDRMURMWIE-HUUCEWRRSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-14-12-32-13-15(2)28(14)22-18(9-24)11-25-20-6-5-16(7-19(20)22)17-8-21(27-33(4,29)30)23(31-3)26-10-17/h5-8,10-11,14-15,27H,12-13H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of N-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-[3-cyano-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 467.55 g/mol, XLogP of 3.16, 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-[(3R,5R)-3,5-dimethylmorpholin-4-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 145382884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).