4-(8-cyanoquinolin-5-yl)-6-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide

C20H20N6O2 — CID 140671739

IUPAC4-(8-cyanoquinolin-5-yl)-6-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide
SMILESCC1CN(c2ccc(C#N)c3ncccc23)CC(C(=O)NCc2ccn[nH]2)O1
InChIInChI=1S/C20H20N6O2/c1-13-11-26(12-18(28-13)20(27)23-10-15-6-8-24-25-15)17-5-4-14(9-21)19-16(17)3-2-7-22-19/h2-8,13,18H,10-12H2,1H3,(H,23,27)(H,24,25)
InChIKeyQSSPNEXSZOSGID-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.74
Rot. Bonds4

About 4-(8-cyanoquinolin-5-yl)-6-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide

4-(8-cyanoquinolin-5-yl)-6-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide (PubChem CID 140671739) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-(8-cyanoquinolin-5-yl)-6-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(8-cyanoquinolin-5-yl)-6-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide
PubChem CID140671739
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name4-(8-cyanoquinolin-5-yl)-6-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide
SMILESCC1CN(c2ccc(C#N)c3ncccc23)CC(C(=O)NCc2ccn[nH]2)O1
InChIInChI=1S/C20H20N6O2/c1-13-11-26(12-18(28-13)20(27)23-10-15-6-8-24-25-15)17-5-4-14(9-21)19-16(17)3-2-7-22-19/h2-8,13,18H,10-12H2,1H3,(H,23,27)(H,24,25)
InChIKeyQSSPNEXSZOSGID-UHFFFAOYSA-N
XLogP1.74
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(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)-N,6-dimethylmorpholine-2-carboxamide
CID 118007139
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide
CID 118007404
N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 140735605
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(pyrrolidin-2-ylmethyl)morpholine-2-carboxamide
CID 118006865
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride
CID 140671765
5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006562
(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-(oxetan-3-yl)morpholine-2-carboxamide
CID 118007265
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride
CID 118007484
(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-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide
CID 118007199

Frequently Asked Questions

What is the IUPAC name of 4-(8-cyanoquinolin-5-yl)-6-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of 4-(8-cyanoquinolin-5-yl)-6-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide (CID 140671739) is 4-(8-cyanoquinolin-5-yl)-6-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-(8-cyanoquinolin-5-yl)-6-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for 4-(8-cyanoquinolin-5-yl)-6-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide is CC1CN(c2ccc(C#N)c3ncccc23)CC(C(=O)NCc2ccn[nH]2)O1.
What is the InChIKey of 4-(8-cyanoquinolin-5-yl)-6-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide?
The InChIKey is QSSPNEXSZOSGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-13-11-26(12-18(28-13)20(27)23-10-15-6-8-24-25-15)17-5-4-14(9-21)19-16(17)3-2-7-22-19/h2-8,13,18H,10-12H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 4-(8-cyanoquinolin-5-yl)-6-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide?
4-(8-cyanoquinolin-5-yl)-6-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-cyanoquinolin-5-yl)-6-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 140671739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).