2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one

C20H15ClN4O3 — CID 135636461

IUPAC2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
SMILESCOc1ccc(-n2nc3ccc4c(c3n2)C(c2ccco2)CC(=O)N4)cc1Cl
InChIInChI=1S/C20H15ClN4O3/c1-27-17-7-4-11(9-13(17)21)25-23-15-6-5-14-19(20(15)24-25)12(10-18(26)22-14)16-3-2-8-28-16/h2-9,12H,10H2,1H3,(H,22,26)
InChIKeyAMVIOEQPEUKBLR-UHFFFAOYSA-N
MW394.82 g/mol
LogP4.15
Rot. Bonds3

About 2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one

2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one (PubChem CID 135636461) has the molecular formula C20H15ClN4O3 and a molecular weight of 394.82 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
PubChem CID135636461
Molecular FormulaC20H15ClN4O3
Molecular Weight394.82 g/mol
Exact Mass394.08
IUPAC Name2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
SMILESCOc1ccc(-n2nc3ccc4c(c3n2)C(c2ccco2)CC(=O)N4)cc1Cl
InChIInChI=1S/C20H15ClN4O3/c1-27-17-7-4-11(9-13(17)21)25-23-15-6-5-14-19(20(15)24-25)12(10-18(26)22-14)16-3-2-8-28-16/h2-9,12H,10H2,1H3,(H,22,26)
InChIKeyAMVIOEQPEUKBLR-UHFFFAOYSA-N
XLogP4.15
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one (CID 135636461) is 2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one is COc1ccc(-n2nc3ccc4c(c3n2)C(c2ccco2)CC(=O)N4)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one?
The InChIKey is AMVIOEQPEUKBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3/c1-27-17-7-4-11(9-13(17)21)25-23-15-6-5-14-19(20(15)24-25)12(10-18(26)22-14)16-3-2-8-28-16/h2-9,12H,10H2,1H3,(H,22,26).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one?
2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one has a molecular weight of 394.82 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-9-(furan-2-yl)-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one is sourced from PubChem (CID 135636461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).