N-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide

C13H11ClN6O — CID 86782318

IUPACN-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide
SMILESCc1ccc(Cl)c2ccc(NC(=O)Cn3cnnn3)nc12
InChIInChI=1S/C13H11ClN6O/c1-8-2-4-10(14)9-3-5-11(17-13(8)9)16-12(21)6-20-7-15-18-19-20/h2-5,7H,6H2,1H3,(H,16,17,21)
InChIKeyCLTCFORKTAABCY-UHFFFAOYSA-N
MW302.73 g/mol
LogP1.82
Rot. Bonds3

About N-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide

N-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide (PubChem CID 86782318) has the molecular formula C13H11ClN6O and a molecular weight of 302.73 g/mol. Its IUPAC name is N-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide
PubChem CID86782318
Molecular FormulaC13H11ClN6O
Molecular Weight302.73 g/mol
Exact Mass302.07
IUPAC NameN-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide
SMILESCc1ccc(Cl)c2ccc(NC(=O)Cn3cnnn3)nc12
InChIInChI=1S/C13H11ClN6O/c1-8-2-4-10(14)9-3-5-11(17-13(8)9)16-12(21)6-20-7-15-18-19-20/h2-5,7H,6H2,1H3,(H,16,17,21)
InChIKeyCLTCFORKTAABCY-UHFFFAOYSA-N
XLogP1.82
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-chloropyrazin-2-yl)-2-(tetrazol-1-yl)acetamide
CID 115599406
N-(2,5-dichlorophenyl)-2-(tetrazol-1-yl)acetamide
CID 26086117
N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
CID 107301047
N-(3-hydroxy-4-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 64795132
N-(4,5-dichloro-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
CID 75448206
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 60531739
N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide
CID 78776629
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)acetamide
CID 2552481
1-(2-chlorophenyl)-2-(tetrazol-1-yl)ethanone
CID 52914739
N-ethyl-2-(tetrazol-1-yl)acetamide
CID 130679342
N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 8778733

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide (CID 86782318) is N-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide is Cc1ccc(Cl)c2ccc(NC(=O)Cn3cnnn3)nc12.
What is the InChIKey of N-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is CLTCFORKTAABCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6O/c1-8-2-4-10(14)9-3-5-11(17-13(8)9)16-12(21)6-20-7-15-18-19-20/h2-5,7H,6H2,1H3,(H,16,17,21).
What are the key properties of N-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide?
N-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 302.73 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-8-methylquinolin-2-yl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 86782318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).