3-[2-(3,4-dichlorophenyl)tetrazol-5-yl]-1H-quinolin-2-one

C16H9Cl2N5O — CID 135817222

IUPAC3-[2-(3,4-dichlorophenyl)tetrazol-5-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1nnn(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H9Cl2N5O/c17-12-6-5-10(8-13(12)18)23-21-15(20-22-23)11-7-9-3-1-2-4-14(9)19-16(11)24/h1-8H,(H,19,24)
InChIKeyOGOBDMSRVQFFJZ-UHFFFAOYSA-N
MW358.19 g/mol
LogP3.48
Rot. Bonds2

About 3-[2-(3,4-dichlorophenyl)tetrazol-5-yl]-1H-quinolin-2-one

3-[2-(3,4-dichlorophenyl)tetrazol-5-yl]-1H-quinolin-2-one (PubChem CID 135817222) has the molecular formula C16H9Cl2N5O and a molecular weight of 358.19 g/mol. Its IUPAC name is 3-[2-(3,4-dichlorophenyl)tetrazol-5-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(3,4-dichlorophenyl)tetrazol-5-yl]-1H-quinolin-2-one
PubChem CID135817222
Molecular FormulaC16H9Cl2N5O
Molecular Weight358.19 g/mol
Exact Mass357.02
IUPAC Name3-[2-(3,4-dichlorophenyl)tetrazol-5-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1nnn(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H9Cl2N5O/c17-12-6-5-10(8-13(12)18)23-21-15(20-22-23)11-7-9-3-1-2-4-14(9)19-16(11)24/h1-8H,(H,19,24)
InChIKeyOGOBDMSRVQFFJZ-UHFFFAOYSA-N
XLogP3.48
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-(4-fluorophenyl)-2H-tetrazol-5-yl)quinolin-2-ol
CID 135463515
3-(2-phenyl-2H-tetrazol-5-yl)quinolin-2-ol
CID 135817225
N-(3,4-dichlorophenyl)-2-[5-(2-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamide
CID 1260221
6-Chloro-7-fluoro-4-phenyl-3-(1H-tetrazol-5-yl)-1H-quinolin-2-one
CID 136387758
N-(3,4-dichlorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465912
N-(3-chlorophenyl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide
CID 17533361
3,4-Dichloro-n-[5-chloro-2-(1h-tetrazol-5-yl)phenyl]benzamide
CID 16123829
N-(3,4-dichlorophenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 23541021
(E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 25064346
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 68576953
6-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one
CID 135589602
7-chloro-3-(2H-tetrazol-5-yl)-1H-quinolin-2-one
CID 135609953

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dichlorophenyl)tetrazol-5-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(3,4-dichlorophenyl)tetrazol-5-yl]-1H-quinolin-2-one (CID 135817222) is 3-[2-(3,4-dichlorophenyl)tetrazol-5-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(3,4-dichlorophenyl)tetrazol-5-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(3,4-dichlorophenyl)tetrazol-5-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1nnn(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 3-[2-(3,4-dichlorophenyl)tetrazol-5-yl]-1H-quinolin-2-one?
The InChIKey is OGOBDMSRVQFFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N5O/c17-12-6-5-10(8-13(12)18)23-21-15(20-22-23)11-7-9-3-1-2-4-14(9)19-16(11)24/h1-8H,(H,19,24).
What are the key properties of 3-[2-(3,4-dichlorophenyl)tetrazol-5-yl]-1H-quinolin-2-one?
3-[2-(3,4-dichlorophenyl)tetrazol-5-yl]-1H-quinolin-2-one has a molecular weight of 358.19 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dichlorophenyl)tetrazol-5-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135817222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).