7-(2-morpholin-4-yl-2-oxoethoxy)-4-propan-2-yl-1-propylquinolin-2-one

C21H28N2O4 — CID 42690330

IUPAC7-(2-morpholin-4-yl-2-oxoethoxy)-4-propan-2-yl-1-propylquinolin-2-one
SMILESCCCn1c(=O)cc(C(C)C)c2ccc(OCC(=O)N3CCOCC3)cc21
InChIInChI=1S/C21H28N2O4/c1-4-7-23-19-12-16(27-14-21(25)22-8-10-26-11-9-22)5-6-17(19)18(15(2)3)13-20(23)24/h5-6,12-13,15H,4,7-11,14H2,1-3H3
InChIKeyPFISUSXQKJFEIT-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.77
Rot. Bonds6

About 7-(2-morpholin-4-yl-2-oxoethoxy)-4-propan-2-yl-1-propylquinolin-2-one

7-(2-morpholin-4-yl-2-oxoethoxy)-4-propan-2-yl-1-propylquinolin-2-one (PubChem CID 42690330) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 7-(2-morpholin-4-yl-2-oxoethoxy)-4-propan-2-yl-1-propylquinolin-2-one.

Molecular Properties

Compound Name7-(2-morpholin-4-yl-2-oxoethoxy)-4-propan-2-yl-1-propylquinolin-2-one
PubChem CID42690330
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name7-(2-morpholin-4-yl-2-oxoethoxy)-4-propan-2-yl-1-propylquinolin-2-one
SMILESCCCn1c(=O)cc(C(C)C)c2ccc(OCC(=O)N3CCOCC3)cc21
InChIInChI=1S/C21H28N2O4/c1-4-7-23-19-12-16(27-14-21(25)22-8-10-26-11-9-22)5-6-17(19)18(15(2)3)13-20(23)24/h5-6,12-13,15H,4,7-11,14H2,1-3H3
InChIKeyPFISUSXQKJFEIT-UHFFFAOYSA-N
XLogP2.77
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-morpholin-4-yl-2-oxoethoxy)-4-propan-2-yl-1-propylquinolin-2-one?
The IUPAC name of 7-(2-morpholin-4-yl-2-oxoethoxy)-4-propan-2-yl-1-propylquinolin-2-one (CID 42690330) is 7-(2-morpholin-4-yl-2-oxoethoxy)-4-propan-2-yl-1-propylquinolin-2-one.
What is the SMILES notation for 7-(2-morpholin-4-yl-2-oxoethoxy)-4-propan-2-yl-1-propylquinolin-2-one?
The canonical SMILES for 7-(2-morpholin-4-yl-2-oxoethoxy)-4-propan-2-yl-1-propylquinolin-2-one is CCCn1c(=O)cc(C(C)C)c2ccc(OCC(=O)N3CCOCC3)cc21.
What is the InChIKey of 7-(2-morpholin-4-yl-2-oxoethoxy)-4-propan-2-yl-1-propylquinolin-2-one?
The InChIKey is PFISUSXQKJFEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-4-7-23-19-12-16(27-14-21(25)22-8-10-26-11-9-22)5-6-17(19)18(15(2)3)13-20(23)24/h5-6,12-13,15H,4,7-11,14H2,1-3H3.
What are the key properties of 7-(2-morpholin-4-yl-2-oxoethoxy)-4-propan-2-yl-1-propylquinolin-2-one?
7-(2-morpholin-4-yl-2-oxoethoxy)-4-propan-2-yl-1-propylquinolin-2-one has a molecular weight of 372.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-morpholin-4-yl-2-oxoethoxy)-4-propan-2-yl-1-propylquinolin-2-one is sourced from PubChem (CID 42690330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).