N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide

C21H23N5O2 — CID 140735605

IUPACN-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
SMILESCC1CN(c2ccc(C#N)c3ncccc23)CC(C(=O)NC2[C@H]3CNC[C@H]23)O1
InChIInChI=1S/C21H23N5O2/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)/t12?,15-,16-,18?/m0/s1
InChIKeyUMKWHIWHGPBDSI-WVLMQXSCSA-N
MW377.45 g/mol
LogP1.03
Rot. Bonds3

About N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide

N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide (PubChem CID 140735605) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
PubChem CID140735605
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
SMILESCC1CN(c2ccc(C#N)c3ncccc23)CC(C(=O)NC2[C@H]3CNC[C@H]23)O1
InChIInChI=1S/C21H23N5O2/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)/t12?,15-,16-,18?/m0/s1
InChIKeyUMKWHIWHGPBDSI-WVLMQXSCSA-N
XLogP1.03
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride
CID 140671765
(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-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 118006489
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride
CID 118007484
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-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide?
The IUPAC name of N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide (CID 140735605) is N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide?
The canonical SMILES for N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide is CC1CN(c2ccc(C#N)c3ncccc23)CC(C(=O)NC2[C@H]3CNC[C@H]23)O1.
What is the InChIKey of N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide?
The InChIKey is UMKWHIWHGPBDSI-WVLMQXSCSA-N. The full InChI is InChI=1S/C21H23N5O2/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)/t12?,15-,16-,18?/m0/s1.
What are the key properties of N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide?
N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 140735605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).