4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide

C40H46F2N12O4 — CID 159569353

IUPAC4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide
SMILESCC1CN(c2ccc(C#N)c3nccnc23)CC(C(=O)NC[C@@]2(F)CCNC2)O1.CC1CN(c2ccc(C#N)c3nccnc23)CC(C(=O)NC[C@@]2(F)CCNC2)O1
InChIInChI=1S/2C20H23FN6O2/c2*1-13-9-27(15-3-2-14(8-22)17-18(15)25-7-6-24-17)10-16(29-13)19(28)26-12-20(21)4-5-23-11-20/h2*2-3,6-7,13,16,23H,4-5,9-12H2,1H3,(H,26,28)/t2*13?,16?,20-/m11/s1
InChIKeyMHPRAYBKZXULDU-AXVYIYKUSA-N
MW796.88 g/mol
LogP1.83
Rot. Bonds8

About 4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide

4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide (PubChem CID 159569353) has the molecular formula C40H46F2N12O4 and a molecular weight of 796.88 g/mol. Its IUPAC name is 4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide
PubChem CID159569353
Molecular FormulaC40H46F2N12O4
Molecular Weight796.88 g/mol
Exact Mass796.37
IUPAC Name4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide
SMILESCC1CN(c2ccc(C#N)c3nccnc23)CC(C(=O)NC[C@@]2(F)CCNC2)O1.CC1CN(c2ccc(C#N)c3nccnc23)CC(C(=O)NC[C@@]2(F)CCNC2)O1
InChIInChI=1S/2C20H23FN6O2/c2*1-13-9-27(15-3-2-14(8-22)17-18(15)25-7-6-24-17)10-16(29-13)19(28)26-12-20(21)4-5-23-11-20/h2*2-3,6-7,13,16,23H,4-5,9-12H2,1H3,(H,26,28)/t2*13?,16?,20-/m11/s1
InChIKeyMHPRAYBKZXULDU-AXVYIYKUSA-N
XLogP1.83
TPSA206.34 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.88
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide with MolForge

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Related Compounds

4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide
CID 158196372
4-(8-cyanoquinoxalin-5-yl)-N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide
CID 158089904
4-(8-cyanoquinoxalin-5-yl)-N-(2-hydroxy-3-methoxypropyl)-6-methylmorpholine-2-carboxamide
CID 146329162
N-[1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide
CID 137424899
4-(8-cyanoquinoxalin-5-yl)-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-2-carboxamide
CID 146329149
N-[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(4-fluoropiperidin-4-yl)acetamide
CID 146316841
(2R,6R)-4-(8-cyanoquinoxalin-5-yl)-N-(2,6-dioxopiperidin-3-yl)-6-methylmorpholine-2-carboxamide
CID 146329334
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide
CID 118007404
8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
CID 146329469
(2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide
CID 154803648
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(pyrrolidin-2-ylmethyl)morpholine-2-carboxamide
CID 118006865
N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 140735605

Frequently Asked Questions

What is the IUPAC name of 4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of 4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide (CID 159569353) is 4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide is CC1CN(c2ccc(C#N)c3nccnc23)CC(C(=O)NC[C@@]2(F)CCNC2)O1.CC1CN(c2ccc(C#N)c3nccnc23)CC(C(=O)NC[C@@]2(F)CCNC2)O1.
What is the InChIKey of 4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide?
The InChIKey is MHPRAYBKZXULDU-AXVYIYKUSA-N. The full InChI is InChI=1S/2C20H23FN6O2/c2*1-13-9-27(15-3-2-14(8-22)17-18(15)25-7-6-24-17)10-16(29-13)19(28)26-12-20(21)4-5-23-11-20/h2*2-3,6-7,13,16,23H,4-5,9-12H2,1H3,(H,26,28)/t2*13?,16?,20-/m11/s1.
What are the key properties of 4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide?
4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide has a molecular weight of 796.88 g/mol, XLogP of 1.83, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-cyanoquinoxalin-5-yl)-N-[[(3R)-3-fluoropyrrolidin-3-yl]methyl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 159569353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).