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

C10H6ClN5O — CID 135609953

IUPAC7-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2cc1-c1nn[nH]n1
InChIInChI=1S/C10H6ClN5O/c11-6-2-1-5-3-7(9-13-15-16-14-9)10(17)12-8(5)4-6/h1-4H,(H,12,17)(H,13,14,15,16)
InChIKeyBICJTZGNIKFXAB-UHFFFAOYSA-N
MW247.65 g/mol
LogP1.36
Rot. Bonds1

About 7-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one

7-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one (PubChem CID 135609953) has the molecular formula C10H6ClN5O and a molecular weight of 247.65 g/mol. Its IUPAC name is 7-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one
PubChem CID135609953
Molecular FormulaC10H6ClN5O
Molecular Weight247.65 g/mol
Exact Mass247.03
IUPAC Name7-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2cc1-c1nn[nH]n1
InChIInChI=1S/C10H6ClN5O/c11-6-2-1-5-3-7(9-13-15-16-14-9)10(17)12-8(5)4-6/h1-4H,(H,12,17)(H,13,14,15,16)
InChIKeyBICJTZGNIKFXAB-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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Related Compounds

7-Chloro-3-phenyl-4-[2-(1H-tetrazol-5-yl)-ethyl]-1H-quinolin-2-one
CID 10736687
3-(2-(3,4-dichlorophenyl)-2H-tetrazol-5-yl)quinolin-2-ol
CID 135817222
N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 2799348
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 16123721
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-fluorobenzamide
CID 16123722
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,4-difluorobenzamide
CID 16123723
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,6-difluorobenzamide
CID 16123724
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 16123825
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-fluorobenzamide
CID 16123828
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 16123830
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-fluorobenzamide
CID 16123832
(E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 25067243

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one (CID 135609953) is 7-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2cc1-c1nn[nH]n1.
What is the InChIKey of 7-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one?
The InChIKey is BICJTZGNIKFXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5O/c11-6-2-1-5-3-7(9-13-15-16-14-9)10(17)12-8(5)4-6/h1-4H,(H,12,17)(H,13,14,15,16).
What are the key properties of 7-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one?
7-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 7-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one is sourced from PubChem (CID 135609953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).