N-quinolin-3-yl-3-(tetrazol-1-yl)benzamide

C17H12N6O — CID 651603

IUPACN-quinolin-3-yl-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H12N6O/c24-17(13-5-3-6-15(9-13)23-11-19-21-22-23)20-14-8-12-4-1-2-7-16(12)18-10-14/h1-11H,(H,20,24)
InChIKeyBKHIUIHGKIWMST-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.46
Rot. Bonds3

About N-quinolin-3-yl-3-(tetrazol-1-yl)benzamide

N-quinolin-3-yl-3-(tetrazol-1-yl)benzamide (PubChem CID 651603) has the molecular formula C17H12N6O and a molecular weight of 316.32 g/mol. Its IUPAC name is N-quinolin-3-yl-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-quinolin-3-yl-3-(tetrazol-1-yl)benzamide
PubChem CID651603
Molecular FormulaC17H12N6O
Molecular Weight316.32 g/mol
Exact Mass316.11
IUPAC NameN-quinolin-3-yl-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H12N6O/c24-17(13-5-3-6-15(9-13)23-11-19-21-22-23)20-14-8-12-4-1-2-7-16(12)18-10-14/h1-11H,(H,20,24)
InChIKeyBKHIUIHGKIWMST-UHFFFAOYSA-N
XLogP2.46
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-3-yl-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-quinolin-3-yl-3-(tetrazol-1-yl)benzamide (CID 651603) is N-quinolin-3-yl-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-quinolin-3-yl-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-quinolin-3-yl-3-(tetrazol-1-yl)benzamide is O=C(Nc1cnc2ccccc2c1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-quinolin-3-yl-3-(tetrazol-1-yl)benzamide?
The InChIKey is BKHIUIHGKIWMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O/c24-17(13-5-3-6-15(9-13)23-11-19-21-22-23)20-14-8-12-4-1-2-7-16(12)18-10-14/h1-11H,(H,20,24).
What are the key properties of N-quinolin-3-yl-3-(tetrazol-1-yl)benzamide?
N-quinolin-3-yl-3-(tetrazol-1-yl)benzamide has a molecular weight of 316.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-3-yl-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 651603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).