N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide

C21H27N3O2 — CID 5067281

IUPACN-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide
SMILESCc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CCCCC3)cc12
InChIInChI=1S/C21H27N3O2/c1-15-13-20(24-9-11-26-12-10-24)23-19-8-7-17(14-18(15)19)22-21(25)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H,22,25)
InChIKeyBXVNPOBNVRBOOV-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.90
Rot. Bonds3

About N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide

N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide (PubChem CID 5067281) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide
PubChem CID5067281
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide
SMILESCc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CCCCC3)cc12
InChIInChI=1S/C21H27N3O2/c1-15-13-20(24-9-11-26-12-10-24)23-19-8-7-17(14-18(15)19)22-21(25)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H,22,25)
InChIKeyBXVNPOBNVRBOOV-UHFFFAOYSA-N
XLogP3.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide?
The IUPAC name of N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide (CID 5067281) is N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide is Cc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CCCCC3)cc12.
What is the InChIKey of N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide?
The InChIKey is BXVNPOBNVRBOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-13-20(24-9-11-26-12-10-24)23-19-8-7-17(14-18(15)19)22-21(25)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H,22,25).
What are the key properties of N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide?
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide is sourced from PubChem (CID 5067281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).