4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexane-1-carboxamide

C22H29N3O2 — CID 3237927

IUPAC4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexane-1-carboxamide
SMILESCc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12
InChIInChI=1S/C22H29N3O2/c1-15-3-5-17(6-4-15)22(26)23-18-7-8-20-19(14-18)16(2)13-21(24-20)25-9-11-27-12-10-25/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,23,26)
InChIKeyCOHPEUUUDGXEPG-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.14
Rot. Bonds3

About 4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexane-1-carboxamide

4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexane-1-carboxamide (PubChem CID 3237927) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexane-1-carboxamide
PubChem CID3237927
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexane-1-carboxamide
SMILESCc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12
InChIInChI=1S/C22H29N3O2/c1-15-3-5-17(6-4-15)22(26)23-18-7-8-20-19(14-18)16(2)13-21(24-20)25-9-11-27-12-10-25/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,23,26)
InChIKeyCOHPEUUUDGXEPG-UHFFFAOYSA-N
XLogP4.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexane-1-carboxamide (CID 3237927) is 4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexane-1-carboxamide is Cc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12.
What is the InChIKey of 4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexane-1-carboxamide?
The InChIKey is COHPEUUUDGXEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-3-5-17(6-4-15)22(26)23-18-7-8-20-19(14-18)16(2)13-21(24-20)25-9-11-27-12-10-25/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,23,26).
What are the key properties of 4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexane-1-carboxamide?
4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexane-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 3237927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).