(9R)-9-(4-oxochromen-3-yl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one

C17H13N5O3 — CID 135913215

IUPAC(9R)-9-(4-oxochromen-3-yl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
SMILESO=C1CCCC2=C1[C@H](c1coc3ccccc3c1=O)n1nnnc1N2
InChIInChI=1S/C17H13N5O3/c23-12-6-3-5-11-14(12)15(22-17(18-11)19-20-21-22)10-8-25-13-7-2-1-4-9(13)16(10)24/h1-2,4,7-8,15H,3,5-6H2,(H,18,19,21)/t15-/m0/s1
InChIKeyXWALAJMFVACQNQ-HNNXBMFYSA-N
MW335.32 g/mol
LogP1.80
Rot. Bonds1

About (9R)-9-(4-oxochromen-3-yl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one

(9R)-9-(4-oxochromen-3-yl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one (PubChem CID 135913215) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is (9R)-9-(4-oxochromen-3-yl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name(9R)-9-(4-oxochromen-3-yl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
PubChem CID135913215
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name(9R)-9-(4-oxochromen-3-yl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
SMILESO=C1CCCC2=C1[C@H](c1coc3ccccc3c1=O)n1nnnc1N2
InChIInChI=1S/C17H13N5O3/c23-12-6-3-5-11-14(12)15(22-17(18-11)19-20-21-22)10-8-25-13-7-2-1-4-9(13)16(10)24/h1-2,4,7-8,15H,3,5-6H2,(H,18,19,21)/t15-/m0/s1
InChIKeyXWALAJMFVACQNQ-HNNXBMFYSA-N
XLogP1.80
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (9R)-9-(4-oxochromen-3-yl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one with MolForge

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Related Compounds

9-phenyl-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135600732
(9R)-9-(2-methoxyphenyl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 734969
9-(2-phenylmethoxyphenyl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135592011
(9S)-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135913211
8-(2-fluorophenyl)-12-thia-2,4,5,6,7-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,5-trien-10-one
CID 141278457
methyl 4-[[2-(8-oxo-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-9-yl)phenoxy]methyl]benzoate
CID 135781187
9-(4-prop-2-enoxyphenyl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135646043
9-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135826912
9-(3-chloro-4,5-dimethoxyphenyl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135693903
9-(2,3-dichlorophenyl)-2-naphthalen-1-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135719495
2-(2-chlorophenyl)-9-(2-fluorophenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135610253
9-(4-hexoxy-3-methoxyphenyl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135826683

Frequently Asked Questions

What is the IUPAC name of (9R)-9-(4-oxochromen-3-yl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of (9R)-9-(4-oxochromen-3-yl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one (CID 135913215) is (9R)-9-(4-oxochromen-3-yl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for (9R)-9-(4-oxochromen-3-yl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for (9R)-9-(4-oxochromen-3-yl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one is O=C1CCCC2=C1[C@H](c1coc3ccccc3c1=O)n1nnnc1N2.
What is the InChIKey of (9R)-9-(4-oxochromen-3-yl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one?
The InChIKey is XWALAJMFVACQNQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H13N5O3/c23-12-6-3-5-11-14(12)15(22-17(18-11)19-20-21-22)10-8-25-13-7-2-1-4-9(13)16(10)24/h1-2,4,7-8,15H,3,5-6H2,(H,18,19,21)/t15-/m0/s1.
What are the key properties of (9R)-9-(4-oxochromen-3-yl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one?
(9R)-9-(4-oxochromen-3-yl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one has a molecular weight of 335.32 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-(4-oxochromen-3-yl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 135913215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).