2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine

C20H29N5O — CID 11994653

IUPAC2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine
SMILESNc1ccc2nc(CN3CCN(CCN4CCOCC4)CC3)ccc2c1
InChIInChI=1S/C20H29N5O/c21-18-2-4-20-17(15-18)1-3-19(22-20)16-25-9-7-23(8-10-25)5-6-24-11-13-26-14-12-24/h1-4,15H,5-14,16,21H2
InChIKeyVXZJBXOEZVNFPE-UHFFFAOYSA-N
MW355.49 g/mol
LogP1.27
Rot. Bonds5

About 2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine

2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine (PubChem CID 11994653) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine.

Molecular Properties

Compound Name2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine
PubChem CID11994653
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine
SMILESNc1ccc2nc(CN3CCN(CCN4CCOCC4)CC3)ccc2c1
InChIInChI=1S/C20H29N5O/c21-18-2-4-20-17(15-18)1-3-19(22-20)16-25-9-7-23(8-10-25)5-6-24-11-13-26-14-12-24/h1-4,15H,5-14,16,21H2
InChIKeyVXZJBXOEZVNFPE-UHFFFAOYSA-N
XLogP1.27
TPSA57.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine with MolForge

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Related Compounds

2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 110451190
2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-amine;hydrochloride
CID 11948880
1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine
CID 117176639
1-(2-morpholin-4-ylethyl)indazol-5-amine
CID 57416135
(6-aminoquinolin-2-yl)methanol
CID 22763701
2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol
CID 43501326
6-amino-2-methyl-3-(2-morpholin-4-ylethyl)quinazolin-4-one
CID 92565209
2-[[4-(2-chloroethyl)piperazin-1-yl]methyl]quinoline
CID 63386827
2-propylquinolin-6-amine
CID 130537701
5-amino-2-(morpholin-4-ylmethyl)phenol
CID 19799808
2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone
CID 82547452
1-(3-morpholin-4-ylpropyl)indol-5-amine
CID 170992123

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine?
The IUPAC name of 2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine (CID 11994653) is 2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine.
What is the SMILES notation for 2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine?
The canonical SMILES for 2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine is Nc1ccc2nc(CN3CCN(CCN4CCOCC4)CC3)ccc2c1.
What is the InChIKey of 2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine?
The InChIKey is VXZJBXOEZVNFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c21-18-2-4-20-17(15-18)1-3-19(22-20)16-25-9-7-23(8-10-25)5-6-24-11-13-26-14-12-24/h1-4,15H,5-14,16,21H2.
What are the key properties of 2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine?
2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine has a molecular weight of 355.49 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine is sourced from PubChem (CID 11994653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).