3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide

C19H19N5O2 — CID 166417753

IUPAC3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
SMILESC#CCCC1(CCC(=O)NCC(=O)Nc2cccc3cccnc23)N=N1
InChIInChI=1S/C19H19N5O2/c1-2-3-10-19(23-24-19)11-9-16(25)21-13-17(26)22-15-8-4-6-14-7-5-12-20-18(14)15/h1,4-8,12H,3,9-11,13H2,(H,21,25)(H,22,26)
InChIKeyPIVQBSXFZIPOAE-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.65
Rot. Bonds8

About 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide

3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide (PubChem CID 166417753) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
PubChem CID166417753
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
SMILESC#CCCC1(CCC(=O)NCC(=O)Nc2cccc3cccnc23)N=N1
InChIInChI=1S/C19H19N5O2/c1-2-3-10-19(23-24-19)11-9-16(25)21-13-17(26)22-15-8-4-6-14-7-5-12-20-18(14)15/h1,4-8,12H,3,9-11,13H2,(H,21,25)(H,22,26)
InChIKeyPIVQBSXFZIPOAE-UHFFFAOYSA-N
XLogP2.65
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]pentanamide;dihydrochloride
CID 120565209
3-(3-but-3-ynyldiazirin-3-yl)-N-(isoquinolin-1-ylmethyl)propanamide
CID 166417625
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
3-(3-but-3-ynyldiazirin-3-yl)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)propanamide
CID 166417896
3-(3-but-3-ynyldiazirin-3-yl)-N-[3-oxo-3-(pyridin-3-ylamino)propyl]propanamide
CID 166417757
4-bromo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 78785378
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
2-nitro-N-quinolin-8-ylacetamide
CID 108814489
3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 113000714
3-(3-but-3-ynyldiazirin-3-yl)-N-(2-imidazo[1,2-a]pyridin-8-ylethyl)propanamide
CID 166429910
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813

Frequently Asked Questions

What is the IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide?
The IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide (CID 166417753) is 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide.
What is the SMILES notation for 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide?
The canonical SMILES for 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide is C#CCCC1(CCC(=O)NCC(=O)Nc2cccc3cccnc23)N=N1.
What is the InChIKey of 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide?
The InChIKey is PIVQBSXFZIPOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-2-3-10-19(23-24-19)11-9-16(25)21-13-17(26)22-15-8-4-6-14-7-5-12-20-18(14)15/h1,4-8,12H,3,9-11,13H2,(H,21,25)(H,22,26).
What are the key properties of 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide?
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide has a molecular weight of 349.39 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide is sourced from PubChem (CID 166417753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).