tert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate

C25H31N5O4 — CID 167055427

IUPACtert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate
SMILESCC1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)O1
InChIInChI=1S/C25H31N5O4/c1-16-12-29(20-8-7-18(10-26)22-19(20)6-5-9-27-22)15-21(33-16)23(31)30-13-17(14-30)11-28-24(32)34-25(2,3)4/h5-9,16-17,21H,11-15H2,1-4H3,(H,28,32)/t16?,21-/m1/s1
InChIKeyRSFSMMIYVXSZGP-CAWMZFRYSA-N
MW465.55 g/mol
LogP2.68
Rot. Bonds4

About tert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate

tert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate (PubChem CID 167055427) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is tert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate
PubChem CID167055427
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Nametert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate
SMILESCC1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)O1
InChIInChI=1S/C25H31N5O4/c1-16-12-29(20-8-7-18(10-26)22-19(20)6-5-9-27-22)15-21(33-16)23(31)30-13-17(14-30)11-28-24(32)34-25(2,3)4/h5-9,16-17,21H,11-15H2,1-4H3,(H,28,32)/t16?,21-/m1/s1
InChIKeyRSFSMMIYVXSZGP-CAWMZFRYSA-N
XLogP2.68
TPSA107.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate with MolForge

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Related Compounds

5-[(2R,6R)-2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007214
5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007391
5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118006873
5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006562
N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide
CID 118007348
tert-butyl (3S,4R)-3-[[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]-4-fluoropyrrolidine-1-carboxylate
CID 149064933
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide
CID 118007404
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide
CID 118007139
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]morpholine-2-carboxamide
CID 118007420
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 118006489
5-[(2R,6R)-2-(3,9-diazaspiro[5.5]undecane-3-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007504
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(pyrrolidin-2-ylmethyl)morpholine-2-carboxamide
CID 118006865

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate (CID 167055427) is tert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate is CC1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)O1.
What is the InChIKey of tert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate?
The InChIKey is RSFSMMIYVXSZGP-CAWMZFRYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-16-12-29(20-8-7-18(10-26)22-19(20)6-5-9-27-22)15-21(33-16)23(31)30-13-17(14-30)11-28-24(32)34-25(2,3)4/h5-9,16-17,21H,11-15H2,1-4H3,(H,28,32)/t16?,21-/m1/s1.
What are the key properties of tert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate?
tert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate has a molecular weight of 465.55 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate is sourced from PubChem (CID 167055427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).