1-butyl-6-(5-chlorobenzotriazol-2-yl)-7-hydroxy-3,4-dihydroquinolin-2-one

C19H19ClN4O2 — CID 166031532

IUPAC1-butyl-6-(5-chlorobenzotriazol-2-yl)-7-hydroxy-3,4-dihydroquinolin-2-one
SMILESCCCCN1C(=O)CCc2cc(-n3nc4ccc(Cl)cc4n3)c(O)cc21
InChIInChI=1S/C19H19ClN4O2/c1-2-3-8-23-16-11-18(25)17(9-12(16)4-7-19(23)26)24-21-14-6-5-13(20)10-15(14)22-24/h5-6,9-11,25H,2-4,7-8H2,1H3
InChIKeyPAIXLCFNVNWICI-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.86
Rot. Bonds4

About 1-butyl-6-(5-chlorobenzotriazol-2-yl)-7-hydroxy-3,4-dihydroquinolin-2-one

1-butyl-6-(5-chlorobenzotriazol-2-yl)-7-hydroxy-3,4-dihydroquinolin-2-one (PubChem CID 166031532) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-butyl-6-(5-chlorobenzotriazol-2-yl)-7-hydroxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-butyl-6-(5-chlorobenzotriazol-2-yl)-7-hydroxy-3,4-dihydroquinolin-2-one
PubChem CID166031532
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name1-butyl-6-(5-chlorobenzotriazol-2-yl)-7-hydroxy-3,4-dihydroquinolin-2-one
SMILESCCCCN1C(=O)CCc2cc(-n3nc4ccc(Cl)cc4n3)c(O)cc21
InChIInChI=1S/C19H19ClN4O2/c1-2-3-8-23-16-11-18(25)17(9-12(16)4-7-19(23)26)24-21-14-6-5-13(20)10-15(14)22-24/h5-6,9-11,25H,2-4,7-8H2,1H3
InChIKeyPAIXLCFNVNWICI-UHFFFAOYSA-N
XLogP3.86
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-(5-chlorobenzotriazol-2-yl)-7-hydroxy-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-butyl-6-(5-chlorobenzotriazol-2-yl)-7-hydroxy-3,4-dihydroquinolin-2-one (CID 166031532) is 1-butyl-6-(5-chlorobenzotriazol-2-yl)-7-hydroxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-butyl-6-(5-chlorobenzotriazol-2-yl)-7-hydroxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-butyl-6-(5-chlorobenzotriazol-2-yl)-7-hydroxy-3,4-dihydroquinolin-2-one is CCCCN1C(=O)CCc2cc(-n3nc4ccc(Cl)cc4n3)c(O)cc21.
What is the InChIKey of 1-butyl-6-(5-chlorobenzotriazol-2-yl)-7-hydroxy-3,4-dihydroquinolin-2-one?
The InChIKey is PAIXLCFNVNWICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-2-3-8-23-16-11-18(25)17(9-12(16)4-7-19(23)26)24-21-14-6-5-13(20)10-15(14)22-24/h5-6,9-11,25H,2-4,7-8H2,1H3.
What are the key properties of 1-butyl-6-(5-chlorobenzotriazol-2-yl)-7-hydroxy-3,4-dihydroquinolin-2-one?
1-butyl-6-(5-chlorobenzotriazol-2-yl)-7-hydroxy-3,4-dihydroquinolin-2-one has a molecular weight of 370.84 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-(5-chlorobenzotriazol-2-yl)-7-hydroxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 166031532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).