N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide

C18H20N2O2 — CID 90579647

IUPACN-(4-quinolin-8-yloxybut-2-ynyl)pentanamide
SMILESCCCCC(=O)NCC#CCOc1cccc2cccnc12
InChIInChI=1S/C18H20N2O2/c1-2-3-11-17(21)19-12-4-5-14-22-16-10-6-8-15-9-7-13-20-18(15)16/h6-10,13H,2-3,11-12,14H2,1H3,(H,19,21)
InChIKeyCNNZZHPRKDXHMP-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.92
Rot. Bonds6

About N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide

N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide (PubChem CID 90579647) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide.

Molecular Properties

Compound NameN-(4-quinolin-8-yloxybut-2-ynyl)pentanamide
PubChem CID90579647
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(4-quinolin-8-yloxybut-2-ynyl)pentanamide
SMILESCCCCC(=O)NCC#CCOc1cccc2cccnc12
InChIInChI=1S/C18H20N2O2/c1-2-3-11-17(21)19-12-4-5-14-22-16-10-6-8-15-9-7-13-20-18(15)16/h6-10,13H,2-3,11-12,14H2,1H3,(H,19,21)
InChIKeyCNNZZHPRKDXHMP-UHFFFAOYSA-N
XLogP2.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide
CID 90579761
2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
CID 90579752
N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide
CID 90575522
2-indol-1-yl-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
CID 90579587
2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579697
3,4,5-trimethoxy-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579692
1-(4-quinolin-8-yloxybut-2-ynyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 90579896
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
CID 90579593
1-[(4-methoxyphenyl)methyl]-3-(4-quinolin-8-yloxybut-2-ynyl)urea
CID 90579893
N-(4-quinolin-8-yloxybut-2-ynyl)-3,5-bis(trifluoromethyl)benzamide
CID 90579722
4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943

Frequently Asked Questions

What is the IUPAC name of N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide?
The IUPAC name of N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide (CID 90579647) is N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide.
What is the SMILES notation for N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide?
The canonical SMILES for N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide is CCCCC(=O)NCC#CCOc1cccc2cccnc12.
What is the InChIKey of N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide?
The InChIKey is CNNZZHPRKDXHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-3-11-17(21)19-12-4-5-14-22-16-10-6-8-15-9-7-13-20-18(15)16/h6-10,13H,2-3,11-12,14H2,1H3,(H,19,21).
What are the key properties of N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide?
N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide has a molecular weight of 296.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide is sourced from PubChem (CID 90579647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).