N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride

C21H24ClN5O2 — CID 140671765

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride
SMILESCC1CN(c2ccc(C#N)c3ncccc23)CC(C(=O)NC2C3CNCC32)O1.Cl
InChIInChI=1S/C21H23N5O2.ClH/c1-12-10-26(17-5-4-13(7-22)19-14(17)3-2-6-24-19)11-18(28-12)21(27)25-20-15-8-23-9-16(15)20;/h2-6,12,15-16,18,20,23H,8-11H2,1H3,(H,25,27);1H
InChIKeyONRKMUUQNCWIIV-UHFFFAOYSA-N
MW413.91 g/mol
LogP1.46
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride

N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride (PubChem CID 140671765) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride
PubChem CID140671765
Molecular FormulaC21H24ClN5O2
Molecular Weight413.91 g/mol
Exact Mass413.16
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride
SMILESCC1CN(c2ccc(C#N)c3ncccc23)CC(C(=O)NC2C3CNCC32)O1.Cl
InChIInChI=1S/C21H23N5O2.ClH/c1-12-10-26(17-5-4-13(7-22)19-14(17)3-2-6-24-19)11-18(28-12)21(27)25-20-15-8-23-9-16(15)20;/h2-6,12,15-16,18,20,23H,8-11H2,1H3,(H,25,27);1H
InChIKeyONRKMUUQNCWIIV-UHFFFAOYSA-N
XLogP1.46
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 140735605
(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)-N,6-dimethylmorpholine-2-carboxamide
CID 118007139
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(oxetan-3-yl)morpholine-2-carboxamide
CID 118007265
N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 140671730
(2R,6R)-N-(2-azaspiro[3.3]heptan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 118006748
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide
CID 118007404
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride
CID 118007484
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 118006489
5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006562
4-(8-cyanoquinolin-5-yl)-6-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide
CID 140671739
(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 N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride (CID 140671765) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride is CC1CN(c2ccc(C#N)c3ncccc23)CC(C(=O)NC2C3CNCC32)O1.Cl.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride?
The InChIKey is ONRKMUUQNCWIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2.ClH/c1-12-10-26(17-5-4-13(7-22)19-14(17)3-2-6-24-19)11-18(28-12)21(27)25-20-15-8-23-9-16(15)20;/h2-6,12,15-16,18,20,23H,8-11H2,1H3,(H,25,27);1H.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride has a molecular weight of 413.91 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 140671765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).