N-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide

C26H26FN5O2 — CID 118007226

IUPACN-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CC(NC(=O)c3ccc(F)cc3)C2)O1
InChIInChI=1S/C26H26FN5O2/c1-17-12-32(24-9-6-19(11-28)25-23(24)3-2-10-29-25)16-22(34-17)15-31-13-21(14-31)30-26(33)18-4-7-20(27)8-5-18/h2-10,17,21-22H,12-16H2,1H3,(H,30,33)/t17-,22+/m1/s1
InChIKeyHLACQIXUGHNIQK-VGSWGCGISA-N
MW459.53 g/mol
LogP2.95
Rot. Bonds5

About N-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide

N-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide (PubChem CID 118007226) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is N-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide
PubChem CID118007226
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC NameN-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CC(NC(=O)c3ccc(F)cc3)C2)O1
InChIInChI=1S/C26H26FN5O2/c1-17-12-32(24-9-6-19(11-28)25-23(24)3-2-10-29-25)16-22(34-17)15-31-13-21(14-31)30-26(33)18-4-7-20(27)8-5-18/h2-10,17,21-22H,12-16H2,1H3,(H,30,33)/t17-,22+/m1/s1
InChIKeyHLACQIXUGHNIQK-VGSWGCGISA-N
XLogP2.95
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide with MolForge

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Related Compounds

5-[(2S,6R)-2-[(4-acetylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007242
5-[(2R,6S)-2-methyl-6-(piperazin-1-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118007081
5-[(2S,6R)-2-[[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006792
5-[(2R,6R)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007152
5-[(2S,6R)-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006976
5-[(2R,6R)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118006463
5-[(2R,6R)-2-[[(3S)-3,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118005811
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
5-[(2R,6S)-2-methyl-6-[[(3R)-3-methylpyrrolidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007164
5-[(2R,6R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007077
5-[(2R,6S)-2-methyl-6-[(3-piperidin-1-ylazetidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007344
5-[(2S,6R)-2-[[3-[(3S)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006881

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide (CID 118007226) is N-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CC(NC(=O)c3ccc(F)cc3)C2)O1.
What is the InChIKey of N-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide?
The InChIKey is HLACQIXUGHNIQK-VGSWGCGISA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-17-12-32(24-9-6-19(11-28)25-23(24)3-2-10-29-25)16-22(34-17)15-31-13-21(14-31)30-26(33)18-4-7-20(27)8-5-18/h2-10,17,21-22H,12-16H2,1H3,(H,30,33)/t17-,22+/m1/s1.
What are the key properties of N-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide?
N-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide has a molecular weight of 459.53 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 118007226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).