[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(6-methylquinolin-4-yl)methanone

C19H25N3O2 — CID 45228735

IUPAC[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(6-methylquinolin-4-yl)methanone
SMILESCc1ccc2nccc(C(=O)N3CCOC(CCN(C)C)C3)c2c1
InChIInChI=1S/C19H25N3O2/c1-14-4-5-18-17(12-14)16(6-8-20-18)19(23)22-10-11-24-15(13-22)7-9-21(2)3/h4-6,8,12,15H,7,9-11,13H2,1-3H3
InChIKeyRYPBCIAUCJTMFH-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.34
Rot. Bonds4

About [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(6-methylquinolin-4-yl)methanone

[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(6-methylquinolin-4-yl)methanone (PubChem CID 45228735) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(6-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(6-methylquinolin-4-yl)methanone
PubChem CID45228735
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(6-methylquinolin-4-yl)methanone
SMILESCc1ccc2nccc(C(=O)N3CCOC(CCN(C)C)C3)c2c1
InChIInChI=1S/C19H25N3O2/c1-14-4-5-18-17(12-14)16(6-8-20-18)19(23)22-10-11-24-15(13-22)7-9-21(2)3/h4-6,8,12,15H,7,9-11,13H2,1-3H3
InChIKeyRYPBCIAUCJTMFH-UHFFFAOYSA-N
XLogP2.34
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(6-methylquinolin-4-yl)methanone?
The IUPAC name of [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(6-methylquinolin-4-yl)methanone (CID 45228735) is [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(6-methylquinolin-4-yl)methanone.
What is the SMILES notation for [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(6-methylquinolin-4-yl)methanone?
The canonical SMILES for [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(6-methylquinolin-4-yl)methanone is Cc1ccc2nccc(C(=O)N3CCOC(CCN(C)C)C3)c2c1.
What is the InChIKey of [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(6-methylquinolin-4-yl)methanone?
The InChIKey is RYPBCIAUCJTMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-4-5-18-17(12-14)16(6-8-20-18)19(23)22-10-11-24-15(13-22)7-9-21(2)3/h4-6,8,12,15H,7,9-11,13H2,1-3H3.
What are the key properties of [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(6-methylquinolin-4-yl)methanone?
[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(6-methylquinolin-4-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(6-methylquinolin-4-yl)methanone is sourced from PubChem (CID 45228735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).