N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide

C15H20N6O — CID 56869134

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide
SMILESCc1nnnn1CC(=O)NCCN1CCCc2ccccc21
InChIInChI=1S/C15H20N6O/c1-12-17-18-19-21(12)11-15(22)16-8-10-20-9-4-6-13-5-2-3-7-14(13)20/h2-3,5,7H,4,6,8-11H2,1H3,(H,16,22)
InChIKeyPUTAFDZZUYNOEM-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.55
Rot. Bonds5

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide (PubChem CID 56869134) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide
PubChem CID56869134
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide
SMILESCc1nnnn1CC(=O)NCCN1CCCc2ccccc21
InChIInChI=1S/C15H20N6O/c1-12-17-18-19-21(12)11-15(22)16-8-10-20-9-4-6-13-5-2-3-7-14(13)20/h2-3,5,7H,4,6,8-11H2,1H3,(H,16,22)
InChIKeyPUTAFDZZUYNOEM-UHFFFAOYSA-N
XLogP0.55
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994643
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 23607928
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 131906533
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide
CID 47381708
N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 2548635
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2548699
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132655246
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)tetrazol-1-yl]acetamide
CID 25380891
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864076

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide (CID 56869134) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide is Cc1nnnn1CC(=O)NCCN1CCCc2ccccc21.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide?
The InChIKey is PUTAFDZZUYNOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-12-17-18-19-21(12)11-15(22)16-8-10-20-9-4-6-13-5-2-3-7-14(13)20/h2-3,5,7H,4,6,8-11H2,1H3,(H,16,22).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide has a molecular weight of 300.37 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide is sourced from PubChem (CID 56869134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).