1-(4-morpholin-4-ylquinolin-2-yl)cyclohexane-1-carboxamide

C20H25N3O2 — CID 69166304

IUPAC1-(4-morpholin-4-ylquinolin-2-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2cc(N3CCOCC3)c3ccccc3n2)CCCCC1
InChIInChI=1S/C20H25N3O2/c21-19(24)20(8-4-1-5-9-20)18-14-17(23-10-12-25-13-11-23)15-6-2-3-7-16(15)22-18/h2-3,6-7,14H,1,4-5,8-13H2,(H2,21,24)
InChIKeyIYOATPZCQQGGNY-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.76
Rot. Bonds3

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

1-(4-morpholin-4-ylquinolin-2-yl)cyclohexane-1-carboxamide (PubChem CID 69166304) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylquinolin-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-morpholin-4-ylquinolin-2-yl)cyclohexane-1-carboxamide
PubChem CID69166304
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(4-morpholin-4-ylquinolin-2-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2cc(N3CCOCC3)c3ccccc3n2)CCCCC1
InChIInChI=1S/C20H25N3O2/c21-19(24)20(8-4-1-5-9-20)18-14-17(23-10-12-25-13-11-23)15-6-2-3-7-16(15)22-18/h2-3,6-7,14H,1,4-5,8-13H2,(H2,21,24)
InChIKeyIYOATPZCQQGGNY-UHFFFAOYSA-N
XLogP2.76
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylquinolin-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-morpholin-4-ylquinolin-2-yl)cyclohexane-1-carboxamide (CID 69166304) is 1-(4-morpholin-4-ylquinolin-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-morpholin-4-ylquinolin-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-morpholin-4-ylquinolin-2-yl)cyclohexane-1-carboxamide is NC(=O)C1(c2cc(N3CCOCC3)c3ccccc3n2)CCCCC1.
What is the InChIKey of 1-(4-morpholin-4-ylquinolin-2-yl)cyclohexane-1-carboxamide?
The InChIKey is IYOATPZCQQGGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c21-19(24)20(8-4-1-5-9-20)18-14-17(23-10-12-25-13-11-23)15-6-2-3-7-16(15)22-18/h2-3,6-7,14H,1,4-5,8-13H2,(H2,21,24).
What are the key properties of 1-(4-morpholin-4-ylquinolin-2-yl)cyclohexane-1-carboxamide?
1-(4-morpholin-4-ylquinolin-2-yl)cyclohexane-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylquinolin-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 69166304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).