4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide

C20H25N3O — CID 167842749

IUPAC4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide
SMILESNC12CCC(C(=O)NCCc3ccc4ncccc4c3)(CC1)CC2
InChIInChI=1S/C20H25N3O/c21-20-9-6-19(7-10-20,8-11-20)18(24)23-13-5-15-3-4-17-16(14-15)2-1-12-22-17/h1-4,12,14H,5-11,13,21H2,(H,23,24)
InChIKeyVMBXQBXBEZDNTD-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.95
Rot. Bonds4

About 4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide

4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide (PubChem CID 167842749) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide
PubChem CID167842749
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide
SMILESNC12CCC(C(=O)NCCc3ccc4ncccc4c3)(CC1)CC2
InChIInChI=1S/C20H25N3O/c21-20-9-6-19(7-10-20,8-11-20)18(24)23-13-5-15-3-4-17-16(14-15)2-1-12-22-17/h1-4,12,14H,5-11,13,21H2,(H,23,24)
InChIKeyVMBXQBXBEZDNTD-UHFFFAOYSA-N
XLogP2.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide with MolForge

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Related Compounds

4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid
CID 146133231
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid
CID 79425635
[1-(quinolin-6-ylmethyl)cyclopropyl]methanamine
CID 116997369
1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234539
2-methyl-N-(2-quinolin-6-ylethyl)propan-2-amine
CID 62549001
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
methyl 4-quinolin-6-ylbutanoate
CID 116997352
6-(2-chloroethyl)quinoline
CID 53404433
6-(2-bromoethyl)quinoline
CID 68811984
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea
CID 67053039
N-methyl-1-quinolin-6-ylpentan-3-amine
CID 81221541

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide?
The IUPAC name of 4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide (CID 167842749) is 4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide is NC12CCC(C(=O)NCCc3ccc4ncccc4c3)(CC1)CC2.
What is the InChIKey of 4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide?
The InChIKey is VMBXQBXBEZDNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c21-20-9-6-19(7-10-20,8-11-20)18(24)23-13-5-15-3-4-17-16(14-15)2-1-12-22-17/h1-4,12,14H,5-11,13,21H2,(H,23,24).
What are the key properties of 4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide?
4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-quinolin-6-ylethyl)bicyclo[2.2.2]octane-1-carboxamide is sourced from PubChem (CID 167842749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).