6-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one

C10H6ClN5O — CID 135589602

IUPAC6-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1-c1nn[nH]n1
InChIInChI=1S/C10H6ClN5O/c11-6-1-2-8-5(3-6)4-7(10(17)12-8)9-13-15-16-14-9/h1-4H,(H,12,17)(H,13,14,15,16)
InChIKeyQQVZBTMJEQLOGN-UHFFFAOYSA-N
MW247.65 g/mol
LogP1.36
Rot. Bonds1

About 6-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one

6-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one (PubChem CID 135589602) has the molecular formula C10H6ClN5O and a molecular weight of 247.65 g/mol. Its IUPAC name is 6-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one
PubChem CID135589602
Molecular FormulaC10H6ClN5O
Molecular Weight247.65 g/mol
Exact Mass247.03
IUPAC Name6-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1-c1nn[nH]n1
InChIInChI=1S/C10H6ClN5O/c11-6-1-2-8-5(3-6)4-7(10(17)12-8)9-13-15-16-14-9/h1-4H,(H,12,17)(H,13,14,15,16)
InChIKeyQQVZBTMJEQLOGN-UHFFFAOYSA-N
XLogP1.36
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one (CID 135589602) is 6-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2cc1-c1nn[nH]n1.
What is the InChIKey of 6-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one?
The InChIKey is QQVZBTMJEQLOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5O/c11-6-1-2-8-5(3-6)4-7(10(17)12-8)9-13-15-16-14-9/h1-4H,(H,12,17)(H,13,14,15,16).
What are the key properties of 6-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one?
6-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one has a molecular weight of 247.65 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one is sourced from PubChem (CID 135589602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).