[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone

C29H36N4O3 — CID 53330406

IUPAC[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone
SMILESCCOCC1CCN(C(=O)c2cccc(C)c2-c2ccc3nc(N)c(N4CCOCC4)cc3c2)CC1
InChIInChI=1S/C29H36N4O3/c1-3-35-19-21-9-11-33(12-10-21)29(34)24-6-4-5-20(2)27(24)22-7-8-25-23(17-22)18-26(28(30)31-25)32-13-15-36-16-14-32/h4-8,17-18,21H,3,9-16,19H2,1-2H3,(H2,30,31)
InChIKeyXGHDWAKVUFPLNT-UHFFFAOYSA-N
MW488.63 g/mol
LogP4.52
Rot. Bonds6

About [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone

[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone (PubChem CID 53330406) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone
PubChem CID53330406
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC Name[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone
SMILESCCOCC1CCN(C(=O)c2cccc(C)c2-c2ccc3nc(N)c(N4CCOCC4)cc3c2)CC1
InChIInChI=1S/C29H36N4O3/c1-3-35-19-21-9-11-33(12-10-21)29(34)24-6-4-5-20(2)27(24)22-7-8-25-23(17-22)18-26(28(30)31-25)32-13-15-36-16-14-32/h4-8,17-18,21H,3,9-16,19H2,1-2H3,(H2,30,31)
InChIKeyXGHDWAKVUFPLNT-UHFFFAOYSA-N
XLogP4.52
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone (CID 53330406) is [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone is CCOCC1CCN(C(=O)c2cccc(C)c2-c2ccc3nc(N)c(N4CCOCC4)cc3c2)CC1.
What is the InChIKey of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone?
The InChIKey is XGHDWAKVUFPLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-3-35-19-21-9-11-33(12-10-21)29(34)24-6-4-5-20(2)27(24)22-7-8-25-23(17-22)18-26(28(30)31-25)32-13-15-36-16-14-32/h4-8,17-18,21H,3,9-16,19H2,1-2H3,(H2,30,31).
What are the key properties of [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone?
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone has a molecular weight of 488.63 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-[4-(ethoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53330406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).