N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide

C18H20N4O2 — CID 166416836

IUPACN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide
SMILESC#CCCC1(CCNC(=O)CC2Cc3ccccc3NC2=O)N=N1
InChIInChI=1S/C18H20N4O2/c1-2-3-8-18(21-22-18)9-10-19-16(23)12-14-11-13-6-4-5-7-15(13)20-17(14)24/h1,4-7,14H,3,8-12H2,(H,19,23)(H,20,24)
InChIKeyWFHMIOPNZWBCJO-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.27
Rot. Bonds7

About N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide

N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide (PubChem CID 166416836) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide
PubChem CID166416836
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide
SMILESC#CCCC1(CCNC(=O)CC2Cc3ccccc3NC2=O)N=N1
InChIInChI=1S/C18H20N4O2/c1-2-3-8-18(21-22-18)9-10-19-16(23)12-14-11-13-6-4-5-7-15(13)20-17(14)24/h1,4-7,14H,3,8-12H2,(H,19,23)(H,20,24)
InChIKeyWFHMIOPNZWBCJO-UHFFFAOYSA-N
XLogP2.27
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide?
The IUPAC name of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide (CID 166416836) is N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide?
The canonical SMILES for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide is C#CCCC1(CCNC(=O)CC2Cc3ccccc3NC2=O)N=N1.
What is the InChIKey of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide?
The InChIKey is WFHMIOPNZWBCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-3-8-18(21-22-18)9-10-19-16(23)12-14-11-13-6-4-5-7-15(13)20-17(14)24/h1,4-7,14H,3,8-12H2,(H,19,23)(H,20,24).
What are the key properties of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide?
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide is sourced from PubChem (CID 166416836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).