2-(1-adamantyl)-N-[2-[2-(heptylamino)ethylamino]quinolin-5-yl]acetamide

C30H44N4O — CID 10288775

IUPAC2-(1-adamantyl)-N-[2-[2-(heptylamino)ethylamino]quinolin-5-yl]acetamide
SMILESCCCCCCCNCCNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C30H44N4O/c1-2-3-4-5-6-12-31-13-14-32-28-11-10-25-26(33-28)8-7-9-27(25)34-29(35)21-30-18-22-15-23(19-30)17-24(16-22)20-30/h7-11,22-24,31H,2-6,12-21H2,1H3,(H,32,33)(H,34,35)
InChIKeyADIIVHSKPMBTFA-UHFFFAOYSA-N
MW476.71 g/mol
LogP6.75
Rot. Bonds13

About 2-(1-adamantyl)-N-[2-[2-(heptylamino)ethylamino]quinolin-5-yl]acetamide

2-(1-adamantyl)-N-[2-[2-(heptylamino)ethylamino]quinolin-5-yl]acetamide (PubChem CID 10288775) has the molecular formula C30H44N4O and a molecular weight of 476.71 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[2-(heptylamino)ethylamino]quinolin-5-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[2-(heptylamino)ethylamino]quinolin-5-yl]acetamide
PubChem CID10288775
Molecular FormulaC30H44N4O
Molecular Weight476.71 g/mol
Exact Mass476.35
IUPAC Name2-(1-adamantyl)-N-[2-[2-(heptylamino)ethylamino]quinolin-5-yl]acetamide
SMILESCCCCCCCNCCNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C30H44N4O/c1-2-3-4-5-6-12-31-13-14-32-28-11-10-25-26(33-28)8-7-9-27(25)34-29(35)21-30-18-22-15-23(19-30)17-24(16-22)20-30/h7-11,22-24,31H,2-6,12-21H2,1H3,(H,32,33)(H,34,35)
InChIKeyADIIVHSKPMBTFA-UHFFFAOYSA-N
XLogP6.75
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.71
LogP ≤ 56.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-adamantyl)-N-[2-[3-(2-ethylbutylamino)propylamino]quinolin-5-yl]acetamide
CID 69071942
2-(1-adamantyl)-N-[2-[3-(2-methylpentylamino)propylamino]quinolin-5-yl]acetamide
CID 71034487
2-(1-adamantyl)-N-[2-[3-(benzylamino)propylamino]quinolin-5-yl]acetamide
CID 69065439
2-(1-adamantyl)-N-[2-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethylamino]quinolin-5-yl]acetamide
CID 10128120
2-(1-adamantyl)-N-[2-[3-(furan-2-ylmethylamino)propylamino]quinolin-5-yl]acetamide
CID 69065834
2-(1-adamantyl)-N-[2-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propylamino]quinolin-5-yl]acetamide
CID 69071957
N-[2-[2-(2-propoxyethylamino)ethylamino]quinolin-5-yl]-2-[(7S)-7-tricyclo[5.3.1.03,9]undecanyl]acetamide
CID 70971835
2-(1-adamantyl)-N-[6-chloro-2-[2-(2-hydroxyethylamino)ethylamino]quinolin-5-yl]acetamide;dihydrochloride
CID 69071923
2-(1-adamantyl)-N-[2-(3-hydroxypropylamino)-6-methylquinolin-5-yl]acetamide
CID 10126846
2-(1-adamantyl)-N-[2-[2-aminoethyl(2-hydroxyethyl)amino]quinolin-5-yl]acetamide
CID 10127096
ethane;N-[2-[2-(ethylamino)ethylamino]quinolin-5-yl]-2-(3-propan-2-ylcyclohex-2-en-1-yl)acetamide;pentane
CID 142809657
N-(2-methylquinolin-5-yl)adamantane-1-carboxamide
CID 584801

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[2-(heptylamino)ethylamino]quinolin-5-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[2-(heptylamino)ethylamino]quinolin-5-yl]acetamide (CID 10288775) is 2-(1-adamantyl)-N-[2-[2-(heptylamino)ethylamino]quinolin-5-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[2-(heptylamino)ethylamino]quinolin-5-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[2-(heptylamino)ethylamino]quinolin-5-yl]acetamide is CCCCCCCNCCNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[2-(heptylamino)ethylamino]quinolin-5-yl]acetamide?
The InChIKey is ADIIVHSKPMBTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4O/c1-2-3-4-5-6-12-31-13-14-32-28-11-10-25-26(33-28)8-7-9-27(25)34-29(35)21-30-18-22-15-23(19-30)17-24(16-22)20-30/h7-11,22-24,31H,2-6,12-21H2,1H3,(H,32,33)(H,34,35).
What are the key properties of 2-(1-adamantyl)-N-[2-[2-(heptylamino)ethylamino]quinolin-5-yl]acetamide?
2-(1-adamantyl)-N-[2-[2-(heptylamino)ethylamino]quinolin-5-yl]acetamide has a molecular weight of 476.71 g/mol, XLogP of 6.75, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[2-(heptylamino)ethylamino]quinolin-5-yl]acetamide is sourced from PubChem (CID 10288775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).