7-chloro-3-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]-1H-quinolin-2-one

C18H14ClN5O — CID 10736687

IUPAC7-chloro-3-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(CCc2nn[nH]n2)c1-c1ccccc1
InChIInChI=1S/C18H14ClN5O/c19-12-6-7-13-14(8-9-16-21-23-24-22-16)17(11-4-2-1-3-5-11)18(25)20-15(13)10-12/h1-7,10H,8-9H2,(H,20,25)(H,21,22,23,24)
InChIKeyXAGGRLCPNNLPSX-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.15
Rot. Bonds4

About 7-chloro-3-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]-1H-quinolin-2-one

7-chloro-3-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]-1H-quinolin-2-one (PubChem CID 10736687) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is 7-chloro-3-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]-1H-quinolin-2-one
PubChem CID10736687
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC Name7-chloro-3-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(CCc2nn[nH]n2)c1-c1ccccc1
InChIInChI=1S/C18H14ClN5O/c19-12-6-7-13-14(8-9-16-21-23-24-22-16)17(11-4-2-1-3-5-11)18(25)20-15(13)10-12/h1-7,10H,8-9H2,(H,20,25)(H,21,22,23,24)
InChIKeyXAGGRLCPNNLPSX-UHFFFAOYSA-N
XLogP3.15
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]-1H-quinolin-2-one (CID 10736687) is 7-chloro-3-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(CCc2nn[nH]n2)c1-c1ccccc1.
What is the InChIKey of 7-chloro-3-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]-1H-quinolin-2-one?
The InChIKey is XAGGRLCPNNLPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c19-12-6-7-13-14(8-9-16-21-23-24-22-16)17(11-4-2-1-3-5-11)18(25)20-15(13)10-12/h1-7,10H,8-9H2,(H,20,25)(H,21,22,23,24).
What are the key properties of 7-chloro-3-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]-1H-quinolin-2-one?
7-chloro-3-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]-1H-quinolin-2-one has a molecular weight of 351.80 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 10736687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).