9-[5-(2-chlorophenyl)furan-2-yl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

C19H15ClN4O2 — CID 4909892

IUPAC9-[5-(2-chlorophenyl)furan-2-yl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESO=C1CCCC2=C1C(c1ccc(-c3ccccc3Cl)o1)n1ncnc1N2
InChIInChI=1S/C19H15ClN4O2/c20-12-5-2-1-4-11(12)15-8-9-16(26-15)18-17-13(6-3-7-14(17)25)23-19-21-10-22-24(18)19/h1-2,4-5,8-10,18H,3,6-7H2,(H,21,22,23)
InChIKeyXRTUPYBQZHHRPI-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.21
Rot. Bonds2

About 9-[5-(2-chlorophenyl)furan-2-yl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

9-[5-(2-chlorophenyl)furan-2-yl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (PubChem CID 4909892) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 9-[5-(2-chlorophenyl)furan-2-yl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name9-[5-(2-chlorophenyl)furan-2-yl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
PubChem CID4909892
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name9-[5-(2-chlorophenyl)furan-2-yl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESO=C1CCCC2=C1C(c1ccc(-c3ccccc3Cl)o1)n1ncnc1N2
InChIInChI=1S/C19H15ClN4O2/c20-12-5-2-1-4-11(12)15-8-9-16(26-15)18-17-13(6-3-7-14(17)25)23-19-21-10-22-24(18)19/h1-2,4-5,8-10,18H,3,6-7H2,(H,21,22,23)
InChIKeyXRTUPYBQZHHRPI-UHFFFAOYSA-N
XLogP4.21
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[5-(2-chlorophenyl)furan-2-yl]-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 4910122
9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 5060101
9-(4-phenylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135646002
2-(8-oxo-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzoic acid
CID 135646017
(9S)-9-(4-bromophenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 694120
(9S)-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 694104
(9S)-9-(2-chloro-5-nitrophenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135577508
9-(1,3-dimethylpyrazol-4-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135636205
9-(3-chloro-4-nitrophenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135838695
(9S)-9-(4-methylsulfanylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 136664094
6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135693031
(9S)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 693592

Frequently Asked Questions

What is the IUPAC name of 9-[5-(2-chlorophenyl)furan-2-yl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 9-[5-(2-chlorophenyl)furan-2-yl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CID 4909892) is 9-[5-(2-chlorophenyl)furan-2-yl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 9-[5-(2-chlorophenyl)furan-2-yl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 9-[5-(2-chlorophenyl)furan-2-yl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is O=C1CCCC2=C1C(c1ccc(-c3ccccc3Cl)o1)n1ncnc1N2.
What is the InChIKey of 9-[5-(2-chlorophenyl)furan-2-yl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The InChIKey is XRTUPYBQZHHRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c20-12-5-2-1-4-11(12)15-8-9-16(26-15)18-17-13(6-3-7-14(17)25)23-19-21-10-22-24(18)19/h1-2,4-5,8-10,18H,3,6-7H2,(H,21,22,23).
What are the key properties of 9-[5-(2-chlorophenyl)furan-2-yl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
9-[5-(2-chlorophenyl)furan-2-yl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one has a molecular weight of 366.81 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(2-chlorophenyl)furan-2-yl]-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 4909892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).