N-(4-quinolin-8-ylbut-3-enyl)acetamide

C15H16N2O — CID 170488863

IUPACN-(4-quinolin-8-ylbut-3-enyl)acetamide
SMILESCC(=O)NCCC=Cc1cccc2cccnc12
InChIInChI=1S/C15H16N2O/c1-12(18)16-10-3-2-6-13-7-4-8-14-9-5-11-17-15(13)14/h2,4-9,11H,3,10H2,1H3,(H,16,18)
InChIKeyFIVAMEGCJMYXLM-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.77
Rot. Bonds4

About N-(4-quinolin-8-ylbut-3-enyl)acetamide

N-(4-quinolin-8-ylbut-3-enyl)acetamide (PubChem CID 170488863) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(4-quinolin-8-ylbut-3-enyl)acetamide.

Molecular Properties

Compound NameN-(4-quinolin-8-ylbut-3-enyl)acetamide
PubChem CID170488863
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-(4-quinolin-8-ylbut-3-enyl)acetamide
SMILESCC(=O)NCCC=Cc1cccc2cccnc12
InChIInChI=1S/C15H16N2O/c1-12(18)16-10-3-2-6-13-7-4-8-14-9-5-11-17-15(13)14/h2,4-9,11H,3,10H2,1H3,(H,16,18)
InChIKeyFIVAMEGCJMYXLM-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(4-quinolin-8-ylbut-3-enyl)carbamate
CID 170494232
(E)-4-quinolin-8-ylbut-3-en-1-amine
CID 63968021
N-[4-(1H-indol-7-yl)but-3-enyl]acetamide
CID 170488819
3-quinolin-8-ylprop-2-en-1-ol
CID 57237770
3-(4-acetamidobut-1-enyl)-2-methylbenzoic acid
CID 170488958
4-quinolin-8-ylbut-3-enal
CID 170482047
N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide
CID 170488443
N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl]acetamide
CID 170489174
2-[2-(4-acetamidobut-1-enyl)phenyl]acetic acid
CID 170488957
N-[4-(2-methoxyphenyl)but-3-enyl]acetamide
CID 170488272
N-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide
CID 170489742
N-(3-quinolin-5-ylprop-2-enyl)acetamide
CID 169465651

Frequently Asked Questions

What is the IUPAC name of N-(4-quinolin-8-ylbut-3-enyl)acetamide?
The IUPAC name of N-(4-quinolin-8-ylbut-3-enyl)acetamide (CID 170488863) is N-(4-quinolin-8-ylbut-3-enyl)acetamide.
What is the SMILES notation for N-(4-quinolin-8-ylbut-3-enyl)acetamide?
The canonical SMILES for N-(4-quinolin-8-ylbut-3-enyl)acetamide is CC(=O)NCCC=Cc1cccc2cccnc12.
What is the InChIKey of N-(4-quinolin-8-ylbut-3-enyl)acetamide?
The InChIKey is FIVAMEGCJMYXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-12(18)16-10-3-2-6-13-7-4-8-14-9-5-11-17-15(13)14/h2,4-9,11H,3,10H2,1H3,(H,16,18).
What are the key properties of N-(4-quinolin-8-ylbut-3-enyl)acetamide?
N-(4-quinolin-8-ylbut-3-enyl)acetamide has a molecular weight of 240.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-quinolin-8-ylbut-3-enyl)acetamide is sourced from PubChem (CID 170488863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).