N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide

C15H19N5O2 — CID 120751341

IUPACN-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CCCN2Cc1noc(CN)n1
InChIInChI=1S/C15H19N5O2/c1-10(21)17-12-5-2-6-13-11(12)4-3-7-20(13)9-14-18-15(8-16)22-19-14/h2,5-6H,3-4,7-9,16H2,1H3,(H,17,21)
InChIKeyPQFHBTJOUMQSEL-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.44
Rot. Bonds4

About N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide

N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide (PubChem CID 120751341) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide
PubChem CID120751341
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CCCN2Cc1noc(CN)n1
InChIInChI=1S/C15H19N5O2/c1-10(21)17-12-5-2-6-13-11(12)4-3-7-20(13)9-14-18-15(8-16)22-19-14/h2,5-6H,3-4,7-9,16H2,1H3,(H,17,21)
InChIKeyPQFHBTJOUMQSEL-UHFFFAOYSA-N
XLogP1.44
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide?
The IUPAC name of N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide (CID 120751341) is N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide.
What is the SMILES notation for N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide?
The canonical SMILES for N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide is CC(=O)Nc1cccc2c1CCCN2Cc1noc(CN)n1.
What is the InChIKey of N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide?
The InChIKey is PQFHBTJOUMQSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10(21)17-12-5-2-6-13-11(12)4-3-7-20(13)9-14-18-15(8-16)22-19-14/h2,5-6H,3-4,7-9,16H2,1H3,(H,17,21).
What are the key properties of N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide?
N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide is sourced from PubChem (CID 120751341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).