(4-chloro-6-methoxyquinolin-3-yl)-morpholin-4-ylmethanone

C15H15ClN2O3 — CID 734014

IUPAC(4-chloro-6-methoxyquinolin-3-yl)-morpholin-4-ylmethanone
SMILESCOc1ccc2ncc(C(=O)N3CCOCC3)c(Cl)c2c1
InChIInChI=1S/C15H15ClN2O3/c1-20-10-2-3-13-11(8-10)14(16)12(9-17-13)15(19)18-4-6-21-7-5-18/h2-3,8-9H,4-7H2,1H3
InChIKeyLBLIHHRZRJISNY-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.37
Rot. Bonds2

About (4-chloro-6-methoxyquinolin-3-yl)-morpholin-4-ylmethanone

(4-chloro-6-methoxyquinolin-3-yl)-morpholin-4-ylmethanone (PubChem CID 734014) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is (4-chloro-6-methoxyquinolin-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-chloro-6-methoxyquinolin-3-yl)-morpholin-4-ylmethanone
PubChem CID734014
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name(4-chloro-6-methoxyquinolin-3-yl)-morpholin-4-ylmethanone
SMILESCOc1ccc2ncc(C(=O)N3CCOCC3)c(Cl)c2c1
InChIInChI=1S/C15H15ClN2O3/c1-20-10-2-3-13-11(8-10)14(16)12(9-17-13)15(19)18-4-6-21-7-5-18/h2-3,8-9H,4-7H2,1H3
InChIKeyLBLIHHRZRJISNY-UHFFFAOYSA-N
XLogP2.37
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methoxyquinolin-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-chloro-6-methoxyquinolin-3-yl)-morpholin-4-ylmethanone (CID 734014) is (4-chloro-6-methoxyquinolin-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-chloro-6-methoxyquinolin-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-chloro-6-methoxyquinolin-3-yl)-morpholin-4-ylmethanone is COc1ccc2ncc(C(=O)N3CCOCC3)c(Cl)c2c1.
What is the InChIKey of (4-chloro-6-methoxyquinolin-3-yl)-morpholin-4-ylmethanone?
The InChIKey is LBLIHHRZRJISNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-20-10-2-3-13-11(8-10)14(16)12(9-17-13)15(19)18-4-6-21-7-5-18/h2-3,8-9H,4-7H2,1H3.
What are the key properties of (4-chloro-6-methoxyquinolin-3-yl)-morpholin-4-ylmethanone?
(4-chloro-6-methoxyquinolin-3-yl)-morpholin-4-ylmethanone has a molecular weight of 306.75 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methoxyquinolin-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 734014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).