(2-methyl-6-propan-2-ylquinolin-4-yl)-morpholin-4-ylmethanone

C18H22N2O2 — CID 53016188

IUPAC(2-methyl-6-propan-2-ylquinolin-4-yl)-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)c2cc(C(C)C)ccc2n1
InChIInChI=1S/C18H22N2O2/c1-12(2)14-4-5-17-15(11-14)16(10-13(3)19-17)18(21)20-6-8-22-9-7-20/h4-5,10-12H,6-9H2,1-3H3
InChIKeyBBWVELXWTKKXJL-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.14
Rot. Bonds2

About (2-methyl-6-propan-2-ylquinolin-4-yl)-morpholin-4-ylmethanone

(2-methyl-6-propan-2-ylquinolin-4-yl)-morpholin-4-ylmethanone (PubChem CID 53016188) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2-methyl-6-propan-2-ylquinolin-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-methyl-6-propan-2-ylquinolin-4-yl)-morpholin-4-ylmethanone
PubChem CID53016188
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2-methyl-6-propan-2-ylquinolin-4-yl)-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)c2cc(C(C)C)ccc2n1
InChIInChI=1S/C18H22N2O2/c1-12(2)14-4-5-17-15(11-14)16(10-13(3)19-17)18(21)20-6-8-22-9-7-20/h4-5,10-12H,6-9H2,1-3H3
InChIKeyBBWVELXWTKKXJL-UHFFFAOYSA-N
XLogP3.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-propan-2-ylquinolin-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2-methyl-6-propan-2-ylquinolin-4-yl)-morpholin-4-ylmethanone (CID 53016188) is (2-methyl-6-propan-2-ylquinolin-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-methyl-6-propan-2-ylquinolin-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-methyl-6-propan-2-ylquinolin-4-yl)-morpholin-4-ylmethanone is Cc1cc(C(=O)N2CCOCC2)c2cc(C(C)C)ccc2n1.
What is the InChIKey of (2-methyl-6-propan-2-ylquinolin-4-yl)-morpholin-4-ylmethanone?
The InChIKey is BBWVELXWTKKXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)14-4-5-17-15(11-14)16(10-13(3)19-17)18(21)20-6-8-22-9-7-20/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of (2-methyl-6-propan-2-ylquinolin-4-yl)-morpholin-4-ylmethanone?
(2-methyl-6-propan-2-ylquinolin-4-yl)-morpholin-4-ylmethanone has a molecular weight of 298.39 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-propan-2-ylquinolin-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 53016188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).