2-quinolin-5-yl-N-[2-[2-(2H-tetrazol-5-yl)propylsulfanyl]phenyl]acetamide

C21H20N6OS — CID 167876684

IUPAC2-quinolin-5-yl-N-[2-[2-(2H-tetrazol-5-yl)propylsulfanyl]phenyl]acetamide
SMILESCC(CSc1ccccc1NC(=O)Cc1cccc2ncccc12)c1nn[nH]n1
InChIInChI=1S/C21H20N6OS/c1-14(21-24-26-27-25-21)13-29-19-10-3-2-8-18(19)23-20(28)12-15-6-4-9-17-16(15)7-5-11-22-17/h2-11,14H,12-13H2,1H3,(H,23,28)(H,24,25,26,27)
InChIKeyRMTRCQBURKWIKY-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.82
Rot. Bonds7

About 2-quinolin-5-yl-N-[2-[2-(2H-tetrazol-5-yl)propylsulfanyl]phenyl]acetamide

2-quinolin-5-yl-N-[2-[2-(2H-tetrazol-5-yl)propylsulfanyl]phenyl]acetamide (PubChem CID 167876684) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-quinolin-5-yl-N-[2-[2-(2H-tetrazol-5-yl)propylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound Name2-quinolin-5-yl-N-[2-[2-(2H-tetrazol-5-yl)propylsulfanyl]phenyl]acetamide
PubChem CID167876684
Molecular FormulaC21H20N6OS
Molecular Weight404.50 g/mol
Exact Mass404.14
IUPAC Name2-quinolin-5-yl-N-[2-[2-(2H-tetrazol-5-yl)propylsulfanyl]phenyl]acetamide
SMILESCC(CSc1ccccc1NC(=O)Cc1cccc2ncccc12)c1nn[nH]n1
InChIInChI=1S/C21H20N6OS/c1-14(21-24-26-27-25-21)13-29-19-10-3-2-8-18(19)23-20(28)12-15-6-4-9-17-16(15)7-5-11-22-17/h2-11,14H,12-13H2,1H3,(H,23,28)(H,24,25,26,27)
InChIKeyRMTRCQBURKWIKY-UHFFFAOYSA-N
XLogP3.82
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylindol-3-yl)-N-quinolin-5-ylacetamide
CID 51055371
2-(2-ethylphenoxy)-N-quinolin-5-ylacetamide
CID 2524325
N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499519
2-(4-hydroxyphenyl)-N-quinolin-5-ylacetamide
CID 78838145
2-methylsulfanyl-N-quinolin-5-ylpropanamide
CID 47188211
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
propan-2-yl N-(quinolin-5-ylmethyl)carbamate
CID 135387719
2-(benzhydrylamino)-N-quinolin-5-ylacetamide
CID 42126505
3,3-dimethyl-N-quinolin-5-ylbutanamide
CID 24654624
1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea
CID 51928178
2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid
CID 103496081

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-5-yl-N-[2-[2-(2H-tetrazol-5-yl)propylsulfanyl]phenyl]acetamide?
The IUPAC name of 2-quinolin-5-yl-N-[2-[2-(2H-tetrazol-5-yl)propylsulfanyl]phenyl]acetamide (CID 167876684) is 2-quinolin-5-yl-N-[2-[2-(2H-tetrazol-5-yl)propylsulfanyl]phenyl]acetamide.
What is the SMILES notation for 2-quinolin-5-yl-N-[2-[2-(2H-tetrazol-5-yl)propylsulfanyl]phenyl]acetamide?
The canonical SMILES for 2-quinolin-5-yl-N-[2-[2-(2H-tetrazol-5-yl)propylsulfanyl]phenyl]acetamide is CC(CSc1ccccc1NC(=O)Cc1cccc2ncccc12)c1nn[nH]n1.
What is the InChIKey of 2-quinolin-5-yl-N-[2-[2-(2H-tetrazol-5-yl)propylsulfanyl]phenyl]acetamide?
The InChIKey is RMTRCQBURKWIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS/c1-14(21-24-26-27-25-21)13-29-19-10-3-2-8-18(19)23-20(28)12-15-6-4-9-17-16(15)7-5-11-22-17/h2-11,14H,12-13H2,1H3,(H,23,28)(H,24,25,26,27).
What are the key properties of 2-quinolin-5-yl-N-[2-[2-(2H-tetrazol-5-yl)propylsulfanyl]phenyl]acetamide?
2-quinolin-5-yl-N-[2-[2-(2H-tetrazol-5-yl)propylsulfanyl]phenyl]acetamide has a molecular weight of 404.50 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-5-yl-N-[2-[2-(2H-tetrazol-5-yl)propylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 167876684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).