N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide

C22H27N5O2 — CID 140671730

IUPACN-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
SMILESCC1CN(c2ccc(C#N)c3ncccc23)CC(C(=O)NC2CCCNCC2)O1
InChIInChI=1S/C22H27N5O2/c1-15-13-27(19-7-6-16(12-23)21-18(19)5-3-10-25-21)14-20(29-15)22(28)26-17-4-2-9-24-11-8-17/h3,5-7,10,15,17,20,24H,2,4,8-9,11,13-14H2,1H3,(H,26,28)
InChIKeySAKVMGXMENXILW-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.96
Rot. Bonds3

About N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide

N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide (PubChem CID 140671730) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
PubChem CID140671730
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
SMILESCC1CN(c2ccc(C#N)c3ncccc23)CC(C(=O)NC2CCCNCC2)O1
InChIInChI=1S/C22H27N5O2/c1-15-13-27(19-7-6-16(12-23)21-18(19)5-3-10-25-21)14-20(29-15)22(28)26-17-4-2-9-24-11-8-17/h3,5-7,10,15,17,20,24H,2,4,8-9,11,13-14H2,1H3,(H,26,28)
InChIKeySAKVMGXMENXILW-UHFFFAOYSA-N
XLogP1.96
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(oxetan-3-yl)morpholine-2-carboxamide
CID 118007265
(2R,6R)-N-(2-azaspiro[3.3]heptan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 118006748
N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 140735605
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride
CID 140671765
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide
CID 118007139
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(pyrrolidin-2-ylmethyl)morpholine-2-carboxamide
CID 118006865
(6R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 137395366
(2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide
CID 154803648
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
(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

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide?
The IUPAC name of N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide (CID 140671730) is N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide is CC1CN(c2ccc(C#N)c3ncccc23)CC(C(=O)NC2CCCNCC2)O1.
What is the InChIKey of N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide?
The InChIKey is SAKVMGXMENXILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15-13-27(19-7-6-16(12-23)21-18(19)5-3-10-25-21)14-20(29-15)22(28)26-17-4-2-9-24-11-8-17/h3,5-7,10,15,17,20,24H,2,4,8-9,11,13-14H2,1H3,(H,26,28).
What are the key properties of N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide?
N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 140671730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).